1-{4-[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl}-2-(2-fluorophenyl)ethan-1-one
Chemical Structure Depiction of
1-{4-[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl}-2-(2-fluorophenyl)ethan-1-one
1-{4-[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl}-2-(2-fluorophenyl)ethan-1-one
Compound characteristics
| Compound ID: | S829-1550 |
| Compound Name: | 1-{4-[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl}-2-(2-fluorophenyl)ethan-1-one |
| Molecular Weight: | 356.39 |
| Molecular Formula: | C18 H23 F3 N2 O2 |
| Smiles: | C1CN(CCC1N1CC(C[C@H]1CO)(F)F)C(Cc1ccccc1F)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.4525 |
| logD: | 2.3342 |
| logSw: | -2.3067 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.514 |
| InChI Key: | BCMHUIXDMZDNEG-HNNXBMFYSA-N |