methyl 3-chloro-4-(3,4-difluoroanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate
Chemical Structure Depiction of
methyl 3-chloro-4-(3,4-difluoroanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate
methyl 3-chloro-4-(3,4-difluoroanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate
Compound characteristics
| Compound ID: | Y508-9678 |
| Compound Name: | methyl 3-chloro-4-(3,4-difluoroanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate |
| Molecular Weight: | 361.65 |
| Molecular Formula: | C12 H9 Cl F5 N O4 |
| Smiles: | COC(C(C(C(Nc1ccc(c(c1)F)F)=O)[Cl])(C(F)(F)F)O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.5436 |
| logD: | 1.9609 |
| logSw: | -2.8628 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.843 |
| InChI Key: | MVFSCNAKGMPUKJ-UHFFFAOYSA-N |