3-[(1,1,2,2-tetrafluoroethyl)sulfanyl]-2-(trifluoromethyl)-4a,5,8,8a-tetrahydro-4H-5,8-methano-1-benzopyran-4-one
Chemical Structure Depiction of
3-[(1,1,2,2-tetrafluoroethyl)sulfanyl]-2-(trifluoromethyl)-4a,5,8,8a-tetrahydro-4H-5,8-methano-1-benzopyran-4-one
3-[(1,1,2,2-tetrafluoroethyl)sulfanyl]-2-(trifluoromethyl)-4a,5,8,8a-tetrahydro-4H-5,8-methano-1-benzopyran-4-one
Compound characteristics
| Compound ID: | 8013-3337 |
| Compound Name: | 3-[(1,1,2,2-tetrafluoroethyl)sulfanyl]-2-(trifluoromethyl)-4a,5,8,8a-tetrahydro-4H-5,8-methano-1-benzopyran-4-one |
| Molecular Weight: | 362.26 |
| Molecular Formula: | C13 H9 F7 O2 S |
| Smiles: | [H]C(C(F)(F)SC1=C(C(F)(F)F)OC2C3CC(C=C3)C2C1=O)(F)F |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0609 |
| logD: | 4.0609 |
| logSw: | -4.2178 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 22.3172 |
| InChI Key: | JXTBELKWIIAVQB-UHFFFAOYSA-N |