3-(4-fluoroanilino)-5,5-dimethylcyclohex-2-en-1-one
Chemical Structure Depiction of
3-(4-fluoroanilino)-5,5-dimethylcyclohex-2-en-1-one
3-(4-fluoroanilino)-5,5-dimethylcyclohex-2-en-1-one
Compound characteristics
| Compound ID: | 4607-0519 |
| Compound Name: | 3-(4-fluoroanilino)-5,5-dimethylcyclohex-2-en-1-one |
| Molecular Weight: | 233.28 |
| Molecular Formula: | C14 H16 F N O |
| Smiles: | CC1(C)CC(=CC(C1)=O)Nc1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 3.0371 |
| logD: | 2.8359 |
| logSw: | -3.3602 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 23.2657 |
| InChI Key: | IPWMRCZGHYSQOD-UHFFFAOYSA-N |