methyl 4-[3,5-bis(trifluoromethyl)anilino]-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate
Chemical Structure Depiction of
methyl 4-[3,5-bis(trifluoromethyl)anilino]-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate
methyl 4-[3,5-bis(trifluoromethyl)anilino]-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate
Compound characteristics
| Compound ID: | Y500-9840 |
| Compound Name: | methyl 4-[3,5-bis(trifluoromethyl)anilino]-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate |
| Molecular Weight: | 427.22 |
| Molecular Formula: | C14 H10 F9 N O4 |
| Smiles: | COC(C(CC(Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)=O)(C(F)(F)F)O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6912 |
| logD: | 3.4116 |
| logSw: | -3.9842 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.097 |
| InChI Key: | FNQUQVAQINANAR-LLVKDONJSA-N |