1-(difluoromethyl)-2-oxabicyclo[2.2.2]octane-4-carboxylic acid
Structure Info
- Chemspace ID
- CSSB14923218678 (In-Stock Building Blocks)
- CAS
- 3079427-49-6
- MFCD
- MFCD35784051
- IUPAC Name
- 1-(difluoromethyl)-2-oxabicyclo[2.2.2]octane-4-carboxylic acid
- Mol formula
- C9H12F2O3
- Mol weight
- 206 Da
- Catalog Number(s)
- AA0F586Q, AD277337, AG0F589I, AR0F58YI, BBLS14923218678, BBV-1094641412, EC0F5AFA, EN300-46798298, H55886, JU38030, OFC3079427496, PBNR0111, PC1027566, ST0F59QA, TX0F59F6, Y1502959, YQF1333, bbls14923218678
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.33
- Heavy atoms count
- 14
- Rotatable bond count
- 2
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.88888888888889
- Polar surface area (Å)
- 47
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 1
![Chemical structure of 1-(difluoromethyl)-2-oxabicyclo[2.2.2]octane-4-carboxylic acid (C9H12F2O3) - CSSB14923218678](/st/structure/200/b9015d9ecdf7eba5e2c233f36ebaf481/OC%2528%253DO%2529C1%2528CCC2%2528CC1%2529C%2528F%2529F%2529CO2.png "C9H12F2O3")
- Zoom the structure
- CSSB14923218678
Items Overall 57 items from 15 suppliers
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| BB4LS US | 2 days | United States To: | 95 | 50 umol | 257.88 | |
| BB4LS US | 2 days | United States To: | 95 | 100 umol | 360.07 | |
| BB4LS US | 2 days | United States To: | 95 | 200 umol | 489.68 | |
| BB4LS US | 2 days | United States To: | 95 | 300 umol | 576.00 | |
| BB4LS US | 2 days | United States To: | 95 | 500 umol | 693.00 | |
| Astatech CN | 2 days | China To: | 95 | 100 mg | 669.90 | |
| Astatech CN | 2 days | China To: | 95 | 250 mg | 1,347.50 | |
Description: 1-(DIFLUOROMETHYL)-2-OXABICYCLO[2.2.2]OCTANE-4-CARBOXYLIC ACID; CAS: 3079427-49-6 | ||||||
| Astatech Inc | 2 days | United States To: | 95 | 100 mg | 669.90 | |
| Astatech Inc | 2 days | United States To: | 95 | 250 mg | 1,347.50 | |
Description: 1-(DIFLUOROMETHYL)-2-OXABICYCLO[2.2.2]OCTANE-4-CARBOXYLIC ACID; CAS: 3079427-49-6 | ||||||
| 1st Scientific LLC | 3 days | United States To: | 95 | 100 mg | 436.70 | |
| 1st Scientific LLC | 3 days | United States To: | 95 | 250 mg | 871.20 | |
| 1st Scientific LLC | 3 days | United States To: | 95 | 500 mg | 1,306.80 | |
Description: 1-(difluoromethyl)-2-oxabicyclo[2.2.2]octane-4-carboxylic acid; CAS: 3079427-49-6 | ||||||
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 50 mg | 524.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 100 mg | 684.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 250 mg | 977.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 500 mg | 1,539.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 1 g | 1,971.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 2.5 g | 3,865.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 5 g | 5,719.00 | |
| Enamine US, Inc. | 5 days | United States To: | 95 | 50 mg | 524.00 | |
| Enamine US, Inc. | 5 days | United States To: | 95 | 100 mg | 684.00 | |
| Enamine US, Inc. | 5 days | United States To: | 95 | 250 mg | 977.00 | |
| Enamine US, Inc. | 5 days | United States To: | 95 | 500 mg | 1,539.00 | |
| Enamine US, Inc. | 5 days | United States To: | 95 | 1 g | 1,971.00 | |
| Enamine US, Inc. | 5 days | United States To: | 95 | 2.5 g | 3,865.00 | |
| BB4LS EU | 7 days | Latvia To: | 95 | 50 umol | 257.88 | |
| BB4LS EU | 7 days | Latvia To: | 95 | 100 umol | 360.07 | |
| BB4LS EU | 7 days | Latvia To: | 95 | 200 umol | 489.68 | |
| BB4LS EU | 7 days | Latvia To: | 95 | 300 umol | 576.00 | |
| BB4LS EU | 7 days | Latvia To: | 95 | 500 umol | 693.00 | |
| Angene International Limited | 10 days | China To: | 97 | 100 mg | 437.40 | |
| Angene International Limited | 10 days | China To: | 97 | 250 mg | 873.00 | |
| Angene International Limited | 10 days | China To: | 97 | 500 mg | 1,307.70 | |
| Angene International Limited | 10 days | China To: | 97 | 1 g | 2,178.00 | |
Description: 1-(difluoromethyl)-2-oxabicyclo[2.2.2]octane-4-carboxylic acid; CAS: 3079427-49-6 | ||||||
| Advanced ChemBlocks CN | 10 days | China To: | 95 | 100 mg | 560.00 | |
| Advanced ChemBlocks CN | 10 days | China To: | 95 | 250 mg | 1,125.00 | |
| Advanced ChemBlocks CN | 10 days | China To: | 95 | 1 g | 2,810.00 | |
Description: 1-(Difluoromethyl)-2-oxabicyclo[2.2.2]octane-4-carboxylic acid; CAS: 3079427-49-6 | ||||||
| Aaron Chemicals LLC | 12 days | United States To: | 97 | 100 mg | 431.25 | |
| Aaron Chemicals LLC | 12 days | United States To: | 97 | 250 mg | 862.50 | |
| Aaron Chemicals LLC | 12 days | United States To: | 97 | 500 mg | 1,293.75 | |
| Aaron Chemicals LLC | 12 days | United States To: | 97 | 1 g | 2,156.25 | |
| A2B Chem | 12 days | United States To: | 95 | 100 mg | 517.50 | |
| A2B Chem | 12 days | United States To: | 95 | 250 mg | 1,032.70 | |
| A2B Chem | 12 days | United States To: | 95 | 500 mg | 1,550.20 | |
Description: 1-(difluoromethyl)-2-oxabicyclo[2.2.2]octane-4-carboxylic acid; CAS: 3079427-49-6 | ||||||
| AA BLOCKS | 12 days | United States To: | 95 | 100 mg | 520.30 | |
| AA BLOCKS | 12 days | United States To: | 95 | 250 mg | 1,039.50 | |
Description: 1-(difluoromethyl)-2-oxabicyclo[2.2.2]octane-4-carboxylic acid; CAS: 3079427-49-6 | ||||||
| eNovation CN | 20 days | China To: | 95 | 100 mg | 517.50 | |
| eNovation CN | 20 days | China To: | 95 | 250 mg | 1,029.25 | |
| eNovation CN | 20 days | China To: | 95 | 500 mg | 1,552.50 | |
| eNovation CN | 20 days | China To: | 95 | 1 g | 2,581.75 | |
Description: 1-(difluoromethyl)-2-oxabicyclo[2.2.2]octane-4-carboxylic acid; CAS: 3079427-49-6 | ||||||
| Accel Scientific, S.L. | 20 days | China To: | 97 | 100 mg | 622.60 | |
| Accel Scientific, S.L. | 20 days | China To: | 97 | 250 mg | 1,241.90 | |
| Accel Scientific, S.L. | 20 days | China To: | 97 | 500 mg | 1,861.20 | |
| Accel Scientific, S.L. | 20 days | China To: | 97 | 1 g | 3,099.80 | |
Description: 1-(difluoromethyl)-2-oxabicyclo[2.2.2]octane-4-carboxylic acid; CAS: 3079427-49-6 | ||||||
| 10X CHEM | TBD | United States To: | 95 | 100 mg | 441.10 | |
| 10X CHEM | TBD | United States To: | 95 | 250 mg | 881.10 | |
| 10X CHEM | TBD | United States To: | 95 | 500 mg | 1,321.10 | |
Description: 1-(difluoromethyl)-2-oxabicyclo[2.2.2]octane-4-carboxylic acid; CAS: 3079427-49-6 | ||||||
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Substructure Analogs
![Chemical structure of (1r,4r)-1-(difluoromethyl)-2-oxabicyclo[2.2.2]octane-4-carboxylic acid - CSSB20563220089](/st/structure/200/0e6e08d16ba3bf23aea597c2bb6c1a75/OC%2528%253DO%2529%255BC%2540%2540%255D12CC%255BC%2540%2540%255D%2528CC1%2529%2528OC2%2529C%2528F%2529F.png)
![Chemical structure of (1r,4r)-1-(trifluoromethyl)-2-oxabicyclo[2.2.2]octane-4-carboxylic acid - CSSB20563220136](/st/structure/200/b660a90f7b9bcf7c1c9c98259d86f593/OC%2528%253DO%2529%255BC%2540%255D12CC%255BC%2540%255D%2528CC1%2529%2528OC2%2529C%2528F%2529%2528F%2529F.png)
![Chemical structure of 1-(trifluoromethyl)-2-oxabicyclo[2.2.2]octane-4-carboxylic acid - CSSB06447569960](/st/structure/200/3a78b46567cfb1f01be4094d8ac450ec/OC%2528%253DO%2529C1%2528CCC2%2528CC1%2529C%2528F%2529%2528F%2529F%2529CO2.png)
![Chemical structure of methyl 1-(trifluoromethyl)-2-oxabicyclo[2.2.2]octane-4-carboxylate - CSSB14965985151](/st/structure/200/6c3222481a04462db8b28e198e0f52f9/COC%2528%253DO%2529C12CCC%2528CC1%2529%2528OC2%2529C%2528F%2529%2528F%2529F.png)
![Chemical structure of ethyl 1-(trifluoromethyl)-2-oxabicyclo[2.2.2]octane-4-carboxylate - CSSB15044548441](/st/structure/200/2cc1e688dd3c7ece35316b16e4de7c00/CCOC%2528%253DO%2529C12CCC%2528CC1%2529%2528OC2%2529C%2528F%2529%2528F%2529F.png)
Similarity Analogs
![Chemical structure of rac-(1R,4R)-1-(difluoromethyl)-2-oxabicyclo[2.2.1]heptane-4-carboxylic acid - CSSB20620695562](/st/structure/200/f3b92724fe31ea6484a8aceaf061ec9b/OC%2528%253DO%2529%255BC%2540%255D12CC%255BC%2540%255D%2528C1%2529%2528OC2%2529C%2528F%2529F%2B%257C%25261%253A3%252C6%252Cr%257C.png)
![Chemical structure of 1-(difluoromethyl)-2-oxabicyclo[2.2.1]heptane-4-carboxylic acid - CSSB09889946645](/st/structure/200/5841ad20524f2da901825e37e5b0d1f5/OC%2528%253DO%2529C1%2528CCC2%2528C1%2529C%2528F%2529F%2529CO2.png)
![Chemical structure of (1r,4r)-1-(difluoromethyl)-2-oxabicyclo[2.1.1]hexane-4-carboxylic acid - CSSB14899814323](/st/structure/200/9bd66dbe1c3ef7c76de6792557271b58/OC%2528%253DO%2529%255BC%2540%255D1%2528C%255BC%2540%255D2%2528C1%2529C%2528F%2529F%2529CO2.png)
![Chemical structure of 1-(difluoromethyl)-2-oxabicyclo[2.1.1]hexane-4-carboxylic acid - CSSB03437256433](/st/structure/200/83a014a9ee34dfde11c0628f4c1ca6cd/OC%2528%253DO%2529C12CC%2528C1%2529%2528OC2%2529C%2528F%2529F.png)
![Chemical structure of 1-[(trifluoromethoxy)methyl]cyclopropane-1-carboxylic acid - CSSB00010759755](/st/structure/200/e5e321204ca08d502ef28e31e83fb3bf/OC%2528%253DO%2529C1%2528COC%2528F%2529%2528F%2529F%2529CC1.png)
![Chemical structure of 1-(difluoromethyl)-2-oxabicyclo[2.2.1]heptane-4-carboxamide - CSSB14983873560](/st/structure/200/ccc94de0580b3b5ce395c44b36003667/NC%2528%253DO%2529C12CCC%2528C1%2529%2528OC2%2529C%2528F%2529F.png)
