5,5-dimethyl-3-[3-(trifluoromethyl)anilino]cyclohex-2-en-1-one
Chemical Structure Depiction of
5,5-dimethyl-3-[3-(trifluoromethyl)anilino]cyclohex-2-en-1-one
5,5-dimethyl-3-[3-(trifluoromethyl)anilino]cyclohex-2-en-1-one
Compound characteristics
| Compound ID: | 8007-8102 |
| Compound Name: | 5,5-dimethyl-3-[3-(trifluoromethyl)anilino]cyclohex-2-en-1-one |
| Molecular Weight: | 283.29 |
| Molecular Formula: | C15 H16 F3 N O |
| Smiles: | CC1(C)CC(=CC(C1)=O)Nc1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 4.0513 |
| logD: | 3.521 |
| logSw: | -4.2018 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 23.2657 |
| InChI Key: | MDYIVHKCHZGEHV-UHFFFAOYSA-N |