N-[4-(trifluoromethyl)benzoyl]-beta-alanine
Chemical Structure Depiction of
N-[4-(trifluoromethyl)benzoyl]-beta-alanine
N-[4-(trifluoromethyl)benzoyl]-beta-alanine
Compound characteristics
| Compound ID: | 8012-8725 |
| Compound Name: | N-[4-(trifluoromethyl)benzoyl]-beta-alanine |
| Molecular Weight: | 261.2 |
| Molecular Formula: | C11 H10 F3 N O3 |
| Smiles: | C(CNC(c1ccc(cc1)C(F)(F)F)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0205 |
| logD: | -1.6752 |
| logSw: | -1.8042 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.149 |
| InChI Key: | ULNYXXJKACMKHB-UHFFFAOYSA-N |