3-[1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]benzoic acid
Structure Info
- Chemspace ID
- CSSB03496561375 (In-Stock Building Blocks)
- CAS
- 2680675-39-0
- MFCD
- MFCD36911695
- IUPAC Name
- 3-[1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]benzoic acid
- Mol formula
- C13H12F3NO3
- Mol weight
- 287 Da
- Catalog Number(s)
- BBLS03496561375, BBV-391736932, EN300-28287355, TX02BMS5, bbls03496561375
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.11
- Heavy atoms count
- 20
- Rotatable bond count
- 3
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.384
- Polar surface area (Å)
- 58
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 1
![Chemical structure of 3-[1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]benzoic acid (C13H12F3NO3) - CSSB03496561375](/st/structure/200/c0431ed9d8dda830053c24d3c98ba657/OC%2528%253DO%2529C1%253DCC%253DCC%2528%253DC1%2529C1CCN%2528C1%2529C%2528%253DO%2529C%2528F%2529%2528F%2529F.png "C13H12F3NO3")
- Zoom the structure
- CSSB03496561375
Items Overall 15 items from 3 suppliers
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 50 mg | 344.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 100 mg | 515.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 250 mg | 735.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 500 mg | 1,158.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 1 g | 1,485.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 2.5 g | 2,912.00 | |
| Enamine US, Inc. | 5 days | United States To: | 95 | 50 mg | 344.00 | |
| Enamine US, Inc. | 5 days | United States To: | 95 | 100 mg | 515.00 | |
| Enamine US, Inc. | 5 days | United States To: | 95 | 250 mg | 735.00 | |
| Enamine US, Inc. | 5 days | United States To: | 95 | 500 mg | 1,158.00 | |
| BB4LS EU | 7 days | Germany To: | 95 | 50 umol | 156.17 | |
| BB4LS EU | 7 days | Germany To: | 95 | 100 umol | 220.74 | |
| BB4LS EU | 7 days | Germany To: | 95 | 200 umol | 301.00 | |
| BB4LS EU | 7 days | Germany To: | 95 | 300 umol | 386.00 | |
| BB4LS EU | 7 days | Germany To: | 95 | 500 umol | 477.00 |
For a custom pack size or bulk
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Substructure Analogs
![Chemical structure of 3-[3-hydroxy-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]benzoic acid - CSSB20504683837](/st/structure/200/8d1c5911c1152cfc0e6338115cfd2c94/OC%2528%253DO%2529C1%253DCC%2528%253DCC%253DC1%2529C1%2528O%2529CCN%2528C1%2529C%2528%253DO%2529C%2528F%2529%2528F%2529F.png)
![Chemical structure of 3-[3-methoxy-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]benzoic acid - CSSB20504684179](/st/structure/200/d3d331daaf759065d4e37fb3ab4589b7/COC1%2528CCN%2528C1%2529C%2528%253DO%2529C%2528F%2529%2528F%2529F%2529C1%253DCC%2528%253DCC%253DC1%2529C%2528O%2529%253DO.png)
Similarity Analogs
![Chemical structure of 3-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzoic acid - CSSB03496563724](/st/structure/200/6ffaffd26460e9afb2afe6be2eed7141/OC%2528%253DO%2529C1%253DCC%253DCC%2528%253DC1%2529C1CCN%2528CC1%2529C%2528%253DO%2529C%2528F%2529%2528F%2529F.png)
![Chemical structure of 3-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]benzoic acid - CSSB03496563722](/st/structure/200/c8aeceadf97682a52722e6688025ec3d/OC%2528%253DO%2529C1%253DCC%253DCC%2528%253DC1%2529C1CCCN%2528C1%2529C%2528%253DO%2529C%2528F%2529%2528F%2529F.png)
![Chemical structure of 4-[1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]benzoic acid - CSSB03496561408](/st/structure/200/3178a9a16f9b53d1aa203c5c0dbc39b3/OC%2528%253DO%2529C1%253DCC%253DC%2528C%253DC1%2529C1CCN%2528C1%2529C%2528%253DO%2529C%2528F%2529%2528F%2529F.png)
![Chemical structure of 2-[1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]pyridine-4-carboxylic acid - CSSB20504313775](/st/structure/200/2091946f939c08b98f362265c24ec7bc/OC%2528%253DO%2529C1%253DCC%2528%253DNC%253DC1%2529C1CCN%2528C1%2529C%2528%253DO%2529C%2528F%2529%2528F%2529F.png)
![Chemical structure of 4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzoic acid - CSSB00011016567](/st/structure/200/531b52d500d733a488e53d4467ce2d7e/OC%2528%253DO%2529C1%253DCC%253DC%2528C%253DC1%2529C1CCN%2528CC1%2529C%2528%253DO%2529C%2528F%2529%2528F%2529F.png)
![Chemical structure of 3-{[1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]oxy}benzoic acid - CSSB03496564030](/st/structure/200/67ac6a75792355764f68b25c8ddaf19e/OC%2528%253DO%2529C1%253DCC%253DCC%2528OC2CCN%2528C2%2529C%2528%253DO%2529C%2528F%2529%2528F%2529F%2529%253DC1.png)
![Chemical structure of 4-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]benzoic acid - CSSB03496563723](/st/structure/200/2a2588a8a410039a4e236a683f66ce96/OC%2528%253DO%2529C1%253DCC%253DC%2528C%253DC1%2529C1CCCN%2528C1%2529C%2528%253DO%2529C%2528F%2529%2528F%2529F.png)
