methyl 1,2-dimethyl-5-oxo-4-{[2-(trifluoromethyl)phenyl]methylidene}-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 1,2-dimethyl-5-oxo-4-{[2-(trifluoromethyl)phenyl]methylidene}-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 1,2-dimethyl-5-oxo-4-{[2-(trifluoromethyl)phenyl]methylidene}-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 8014-8710 |
| Compound Name: | methyl 1,2-dimethyl-5-oxo-4-{[2-(trifluoromethyl)phenyl]methylidene}-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 325.29 |
| Molecular Formula: | C16 H14 F3 N O3 |
| Smiles: | CC1=C(/C(=C/c2ccccc2C(F)(F)F)C(N1C)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.7385 |
| logD: | 2.7385 |
| logSw: | -3.2707 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.148 |
| InChI Key: | XFIBQRIFFPPEIZ-UHFFFAOYSA-N |