methyl 3-(3-chloro-4-fluoroanilino)-2-cyano-4,4,4-trifluorobut-2-enoate
Chemical Structure Depiction of
methyl 3-(3-chloro-4-fluoroanilino)-2-cyano-4,4,4-trifluorobut-2-enoate
methyl 3-(3-chloro-4-fluoroanilino)-2-cyano-4,4,4-trifluorobut-2-enoate
Compound characteristics
| Compound ID: | 8010-4237 |
| Compound Name: | methyl 3-(3-chloro-4-fluoroanilino)-2-cyano-4,4,4-trifluorobut-2-enoate |
| Molecular Weight: | 322.64 |
| Molecular Formula: | C12 H7 Cl F4 N2 O2 |
| Smiles: | COC(C(\C#N)=C(/C(F)(F)F)Nc1ccc(c(c1)[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.405 |
| logD: | -5.0382 |
| logSw: | -3.8367 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.879 |
| InChI Key: | RAYNIKPBKYEAGZ-UHFFFAOYSA-N |