{5-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}acetonitrile
Chemical Structure Depiction of
{5-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}acetonitrile
{5-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}acetonitrile
Compound characteristics
| Compound ID: | 8018-3010 |
| Compound Name: | {5-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}acetonitrile |
| Molecular Weight: | 252.2 |
| Molecular Formula: | C11 H7 F3 N4 |
| Smiles: | C(C#N)c1nnc(c2ccc(cc2)C(F)(F)F)[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 2.1182 |
| logD: | 2.0699 |
| logSw: | -2.3544 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.506 |
| InChI Key: | BBHMKDTZUOFHFA-UHFFFAOYSA-N |