4-oxo-4-[3-(trifluoromethyl)anilino]but-2-enoic acid
Chemical Structure Depiction of
4-oxo-4-[3-(trifluoromethyl)anilino]but-2-enoic acid
4-oxo-4-[3-(trifluoromethyl)anilino]but-2-enoic acid
Compound characteristics
| Compound ID: | K781-5205 |
| Compound Name: | 4-oxo-4-[3-(trifluoromethyl)anilino]but-2-enoic acid |
| Molecular Weight: | 259.18 |
| Molecular Formula: | C11 H8 F3 N O3 |
| Smiles: | C(=C/C(Nc1cccc(c1)C(F)(F)F)=O)\C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5772 |
| logD: | -1.8811 |
| logSw: | -2.9847 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.772 |
| InChI Key: | XHTHMZFBLNIKJC-UHFFFAOYSA-N |