2-amino-4,4-bis(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]-1,4,6,7,8,9,10,10a-octahydrocycloocta[b]pyridine-3-carbonitrile
Chemical Structure Depiction of
2-amino-4,4-bis(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]-1,4,6,7,8,9,10,10a-octahydrocycloocta[b]pyridine-3-carbonitrile
2-amino-4,4-bis(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]-1,4,6,7,8,9,10,10a-octahydrocycloocta[b]pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8012-8880 |
| Compound Name: | 2-amino-4,4-bis(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]-1,4,6,7,8,9,10,10a-octahydrocycloocta[b]pyridine-3-carbonitrile |
| Molecular Weight: | 483.38 |
| Molecular Formula: | C21 H18 F9 N3 |
| Smiles: | C1CC/C=C2C(CC1)N(C(=C(C#N)C/2(C(F)(F)F)C(F)(F)F)N)c1ccc(cc1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.6019 |
| logD: | 6.6019 |
| logSw: | -6.3349 |
| Hydrogen bond acceptors count: | 1 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 39.675 |
| InChI Key: | IIYWTPZKBXVOHR-RNDAEWJDSA-N |