methyl 2-{[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]carbamamido}benzoate
Chemical Structure Depiction of
methyl 2-{[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]carbamamido}benzoate
methyl 2-{[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]carbamamido}benzoate
Compound characteristics
| Compound ID: | 8011-1704 |
| Compound Name: | methyl 2-{[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]carbamamido}benzoate |
| Molecular Weight: | 372.26 |
| Molecular Formula: | C14 H14 F6 N2 O3 |
| Smiles: | CCC(C(F)(F)F)(C(F)(F)F)NC(Nc1ccccc1C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9818 |
| logD: | 2.3923 |
| logSw: | -4.2384 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.28 |
| InChI Key: | XRHPNTQSSTWFGT-UHFFFAOYSA-N |