2-[(3,4-difluoroanilino)methylidene]-5,5-dimethylcyclohexane-1,3-dione
Chemical Structure Depiction of
2-[(3,4-difluoroanilino)methylidene]-5,5-dimethylcyclohexane-1,3-dione
2-[(3,4-difluoroanilino)methylidene]-5,5-dimethylcyclohexane-1,3-dione
Compound characteristics
| Compound ID: | K699-0106 |
| Compound Name: | 2-[(3,4-difluoroanilino)methylidene]-5,5-dimethylcyclohexane-1,3-dione |
| Molecular Weight: | 279.28 |
| Molecular Formula: | C15 H15 F2 N O2 |
| Smiles: | CC1(C)CC(C(=CNc2ccc(c(c2)F)F)C(C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8205 |
| logD: | 0.7906 |
| logSw: | -3.3208 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.256 |
| InChI Key: | FVXWHITVEKPRDF-UHFFFAOYSA-N |