2-[(2,4-difluoroanilino)methylidene]-5,5-dimethylcyclohexane-1,3-dione
Chemical Structure Depiction of
2-[(2,4-difluoroanilino)methylidene]-5,5-dimethylcyclohexane-1,3-dione
2-[(2,4-difluoroanilino)methylidene]-5,5-dimethylcyclohexane-1,3-dione
Compound characteristics
| Compound ID: | K699-0103 |
| Compound Name: | 2-[(2,4-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(cc2F)F)C(C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7401 |
| logD: | 0.7041 |
| logSw: | -3.134 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.558 |
| InChI Key: | VHCCDHRZLIZZQD-UHFFFAOYSA-N |