Tert-butyl 1-(iodomethyl)-3-(trifluoromethyl)-2-oxabicyclo[2.1.1]hexane-4-carboxylate
Structure Info
- Chemspace ID
- CSSB20621656598 (In-Stock Building Blocks)
- MFCD
- MFCD35783763
- IUPAC Name
- tert-butyl 1-(iodomethyl)-3-(trifluoromethyl)-2-oxabicyclo[2.1.1]hexane-4-carboxylate
- Mol formula
- C12H16F3IO3
- Mol weight
- 392 Da
- Catalog Number(s)
- BBLS20621656598, BBV-1692803636, EN300-52705127, bbls20621656598
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.31
- Heavy atoms count
- 19
- Rotatable bond count
- 5
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.916
- Polar surface area (Å)
- 36
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 0
![Chemical structure of Tert-butyl 1-(iodomethyl)-3-(trifluoromethyl)-2-oxabicyclo[2.1.1]hexane-4-carboxylate (C12H16F3IO3) - CSSB20621656598](/st/structure/200/6f77a41a927aae682d64f38131072e9c/CC%2528C%2529%2528C%2529OC%2528%253DO%2529C12CC%2528CI%2529%2528C1%2529OC2C%2528F%2529%2528F%2529F.png "C12H16F3IO3")
- Zoom the structure
- CSSB20621656598
Items Overall 10 items from 2 suppliers
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 50 mg | 322.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 100 mg | 481.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 250 mg | 686.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 500 mg | 1,081.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 1 g | 1,386.00 | |
| BB4LS EU | 7 days | Germany To: | 95 | 50 umol | 216.11 | |
| BB4LS EU | 7 days | Germany To: | 95 | 100 umol | 294.95 | |
| BB4LS EU | 7 days | Germany To: | 95 | 200 umol | 430.00 | |
| BB4LS EU | 7 days | Germany To: | 95 | 300 umol | 515.00 | |
| BB4LS EU | 7 days | Germany To: | 95 | 500 umol | 632.00 |
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Substructure Analogs
![Chemical structure of tert-butyl (1r,4r)-1-(iodomethyl)-3-(trifluoromethyl)-2-oxabicyclo[2.1.1]hexane-4-carboxylate - CSSB20813982571](/st/structure/200/7518a97c4b1784f83adb04b616cbff71/CC%2528C%2529%2528C%2529OC%2528%253DO%2529%255BC%2540%255D12C%255BC%2540%255D%2528CI%2529%2528C1%2529OC2C%2528F%2529%2528F%2529F.png)
Similarity Analogs
![Chemical structure of ethyl (1r,4r)-1-(iodomethyl)-3-(trifluoromethyl)-2-oxabicyclo[2.1.1]hexane-4-carboxylate - CSSB06741647083](/st/structure/200/2017ecdd8cd4185953d04e33b32e4a1d/CCOC%2528%253DO%2529%255BC%2540%255D1%2528C%255BC%2540%2540%255D2%2528CI%2529C1%2529C%2528O2%2529C%2528F%2529%2528F%2529F.png)
![Chemical structure of ethyl 1-(iodomethyl)-3-(trifluoromethyl)-2-oxabicyclo[2.1.1]hexane-4-carboxylate - CSSB06657271839](/st/structure/200/4c5f60a3347a095b39eb5194ee4422de/CCOC%2528%253DO%2529C1%2528CC2%2528CI%2529C1%2529C%2528O2%2529C%2528F%2529%2528F%2529F.png)
![Chemical structure of 1-(iodomethyl)-4-methyl-3-(trifluoromethyl)-2-oxabicyclo[2.1.1]hexane - CSSB02495364858](/st/structure/200/47765e48d2dbe4e5df4ce521bb58d443/CC12CC%2528CI%2529%2528C1%2529OC2C%2528F%2529%2528F%2529F.png)
![Chemical structure of (1r,4s)-1-(iodomethyl)-4-methyl-3-(trifluoromethyl)-2-oxabicyclo[2.1.1]hexane - CSSB06440505752](/st/structure/200/fa7abe334728f3d707687774aa3e3a7f/C%255BC%2540%255D1%2528C%255BC%2540%2540%255D2%2528CI%2529C1%2529C%2528O2%2529C%2528F%2529%2528F%2529F.png)
![Chemical structure of (1r,4r)-1-({[(tert-butoxy)carbonyl]amino}methyl)-3-(trifluoromethyl)-2-oxabicyclo[2.1.1]hexane-4-carboxylic acid - CSSB06741647757](/st/structure/200/abf490248170871c1efcae10bea7c91d/CC%2528C%2529%2528C%2529OC%2528%253DO%2529NC%255BC%2540%255D1%2528C%255BC%2540%255D2%2528C1%2529C%2528%253DO%2529O%2529OC2C%2528F%2529%2528F%2529F.png)
![Chemical structure of 1-({[(tert-butoxy)carbonyl]amino}methyl)-3-(trifluoromethyl)-2-oxabicyclo[2.1.1]hexane-4-carboxylic acid - CSSB02495364832](/st/structure/200/4356eb9e64ba66a66b6c7fafe9db80cf/CC%2528C%2529%2528C%2529OC%2528%253DO%2529NCC12CC%2528C1%2529%2528C%2528O2%2529C%2528F%2529%2528F%2529F%2529C%2528O%2529%253DO.png)
