Basic information
- Standard SMILES
CC(=O)SCCC(F)(F)c1ccc(F)cc1- InChIKey
GIOHGJUNOYELMC-UHFFFAOYSA-N- Molecular formula
- C11H11F3OS
- Average molar mass
- 248.27 g/mol
Names & identifiers
- Preferred name
- ethanethioic acid S-[3,3-difluoro-3-(4-fluorophenyl)-propyl]ester
- IUPAC
- S-[3,3-difluoro-3-(4-fluorophenyl)propyl] ethanethioate
Names & synonyms
ethanethioic acid S-[3,3-difluoro-3-(4-fluorophenyl)-propyl]ester
Database identifiers
- PubChem CID
- 86720161
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 237
Related reactions
2 records
Compound notes
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