1-phenyl-5-(propan-2-yl)-3,3-bis(trifluoromethyl)-2,3-dihydro-1H-1,2,4-triazole
Chemical Structure Depiction of
1-phenyl-5-(propan-2-yl)-3,3-bis(trifluoromethyl)-2,3-dihydro-1H-1,2,4-triazole
1-phenyl-5-(propan-2-yl)-3,3-bis(trifluoromethyl)-2,3-dihydro-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | 7591-0159 |
| Compound Name: | 1-phenyl-5-(propan-2-yl)-3,3-bis(trifluoromethyl)-2,3-dihydro-1H-1,2,4-triazole |
| Molecular Weight: | 325.25 |
| Molecular Formula: | C13 H13 F6 N3 |
| Smiles: | CC(C)C1=NC(C(F)(F)F)(C(F)(F)F)NN1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.2198 |
| logD: | 2.3281 |
| logSw: | -4.2247 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 26.6855 |
| InChI Key: | QIQFLBZZVPOOTE-UHFFFAOYSA-N |