2-{[4-chloro-2-(trifluoromethyl)anilino]methylidene}-5,5-dimethylcyclohexane-1,3-dione
Chemical Structure Depiction of
2-{[4-chloro-2-(trifluoromethyl)anilino]methylidene}-5,5-dimethylcyclohexane-1,3-dione
2-{[4-chloro-2-(trifluoromethyl)anilino]methylidene}-5,5-dimethylcyclohexane-1,3-dione
Compound characteristics
| Compound ID: | K699-0104 |
| Compound Name: | 2-{[4-chloro-2-(trifluoromethyl)anilino]methylidene}-5,5-dimethylcyclohexane-1,3-dione |
| Molecular Weight: | 345.75 |
| Molecular Formula: | C16 H15 Cl F3 N O2 |
| Smiles: | CC1(C)CC(C(=CNc2ccc(cc2C(F)(F)F)[Cl])C(C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9954 |
| logD: | 3.46 |
| logSw: | -4.5473 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.558 |
| InChI Key: | RQUDRGAVYUDWBA-UHFFFAOYSA-N |