3-({[4-(trifluoromethoxy)phenyl]methyl}sulfanyl)propanoic acid
Chemical Structure Depiction of
3-({[4-(trifluoromethoxy)phenyl]methyl}sulfanyl)propanoic acid
3-({[4-(trifluoromethoxy)phenyl]methyl}sulfanyl)propanoic acid
Compound characteristics
| Compound ID: | Y040-9484 |
| Compound Name: | 3-({[4-(trifluoromethoxy)phenyl]methyl}sulfanyl)propanoic acid |
| Molecular Weight: | 280.26 |
| Molecular Formula: | C11 H11 F3 O3 S |
| Smiles: | C(CSCc1ccc(cc1)OC(F)(F)F)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9853 |
| logD: | -0.5794 |
| logSw: | -3.3444 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.559 |
| InChI Key: | ACLXIZWTJNBYKK-UHFFFAOYSA-N |