Basic information
- Standard SMILES
CCOC(=O)C(CSc1ccccc1F)c1ccc(F)cc1- InChIKey
OTKXXALNGBVJPC-UHFFFAOYSA-N- Molecular formula
- C17H16F2O2S
- Average molar mass
- 322.4 g/mol
Names & identifiers
- Preferred name
- Ethyl 4-fluoro-alpha-[[(2-fluorophenyl)thio]methyl]benzeneacetate
- IUPAC
- ethyl 2-(4-fluorophenyl)-3-(2-fluorophenyl)sulfanylpropanoate
Names & synonyms
SCHEMBL9139887OTKXXALNGBVJPC-UHFFFAOYSA-Nethyl 4-fluoro-alpha-[[(2-fluorophenyl)thio]methyl]benzeneacetate
Database identifiers
- PubChem CID
- 19927552
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 346
Related reactions
6 records
Compound notes
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