5-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylic acid
Chemical Structure Depiction of
5-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylic acid
5-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylic acid
Compound characteristics
| Compound ID: | T640-1048 |
| Compound Name: | 5-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylic acid |
| Molecular Weight: | 325.17 |
| Molecular Formula: | C11 H5 F6 N3 O2 |
| Smiles: | c1cc(ccc1C(F)(F)F)n1c(c(C(O)=O)nn1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 2.3306 |
| logD: | -4.3624 |
| logSw: | -2.5151 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.519 |
| InChI Key: | IDQKBZPAXRUASJ-UHFFFAOYSA-N |