methyl (2E)-3-[(5-tert-butyl-2-oxocyclohexyl)sulfanyl]-3-fluoro-2-(trifluoromethyl)prop-2-enoate
Chemical Structure Depiction of
methyl (2E)-3-[(5-tert-butyl-2-oxocyclohexyl)sulfanyl]-3-fluoro-2-(trifluoromethyl)prop-2-enoate
methyl (2E)-3-[(5-tert-butyl-2-oxocyclohexyl)sulfanyl]-3-fluoro-2-(trifluoromethyl)prop-2-enoate
Compound characteristics
| Compound ID: | 8012-8599 |
| Compound Name: | methyl (2E)-3-[(5-tert-butyl-2-oxocyclohexyl)sulfanyl]-3-fluoro-2-(trifluoromethyl)prop-2-enoate |
| Molecular Weight: | 356.38 |
| Molecular Formula: | C15 H20 F4 O3 S |
| Smiles: | CC(C)(C)C1CCC(C(C1)SC(=C(/C(=O)OC)C(F)(F)F)\F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6562 |
| logD: | 4.6562 |
| logSw: | -4.3938 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 34.852 |
| InChI Key: | PXGACNOWPAPDJF-UHFFFAOYSA-N |