methyl 2-{difluoro[(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)sulfanyl]methyl}-3,3,3-trifluoropropanoate
Chemical Structure Depiction of
methyl 2-{difluoro[(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)sulfanyl]methyl}-3,3,3-trifluoropropanoate
methyl 2-{difluoro[(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)sulfanyl]methyl}-3,3,3-trifluoropropanoate
Compound characteristics
| Compound ID: | 8012-8601 |
| Compound Name: | methyl 2-{difluoro[(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)sulfanyl]methyl}-3,3,3-trifluoropropanoate |
| Molecular Weight: | 348.24 |
| Molecular Formula: | C11 H9 F5 O5 S |
| Smiles: | CC1=CC(=C(C(=O)O1)SC(C(C(=O)OC)C(F)(F)F)(F)F)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6492 |
| logD: | -2.3875 |
| logSw: | -2.5811 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.316 |
| InChI Key: | BIEJSUXKRKPABM-ZETCQYMHSA-N |