2-(1H-benzimidazol-2-yl)-4,4,4-trifluoro-3-hydroxybut-2-enenitrile
Chemical Structure Depiction of
2-(1H-benzimidazol-2-yl)-4,4,4-trifluoro-3-hydroxybut-2-enenitrile
2-(1H-benzimidazol-2-yl)-4,4,4-trifluoro-3-hydroxybut-2-enenitrile
Compound characteristics
| Compound ID: | 3337-0313 |
| Compound Name: | 2-(1H-benzimidazol-2-yl)-4,4,4-trifluoro-3-hydroxybut-2-enenitrile |
| Molecular Weight: | 253.18 |
| Molecular Formula: | C11 H6 F3 N3 O |
| Smiles: | C(C(=C(/C(F)(F)F)O)\c1nc2ccccc2[nH]1)#N |
| Stereo: | ACHIRAL |
| logP: | 2.0503 |
| logD: | -3.1119 |
| logSw: | -1.7826 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.137 |
| InChI Key: | KQSPQFHBZOTGNC-UHFFFAOYSA-N |