3-(3-fluoro-4-methylanilino)-5,5-dimethylcyclohex-2-en-1-one
Chemical Structure Depiction of
3-(3-fluoro-4-methylanilino)-5,5-dimethylcyclohex-2-en-1-one
3-(3-fluoro-4-methylanilino)-5,5-dimethylcyclohex-2-en-1-one
Compound characteristics
Compound ID: | 8011-1638 |
Compound Name: | 3-(3-fluoro-4-methylanilino)-5,5-dimethylcyclohex-2-en-1-one |
Molecular Weight: | 247.31 |
Molecular Formula: | C15 H18 F N O |
Smiles: | Cc1ccc(cc1F)NC1CC(C)(C)CC(C=1)=O |
Stereo: | ACHIRAL |
logP: | 3.6578 |
logD: | 3.3687 |
logSw: | -3.8376 |
Hydrogen bond acceptors count: | 2 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 23.2657 |
InChI Key: | CFXVEXHKXDYTSV-UHFFFAOYSA-N |