Basic information
- Standard SMILES
CCOC(=O)C(c1ccc(Cl)cc1F)[C@@H](C)C(F)(F)F- InChIKey
BOBLGOVAJJEWSZ-DKSCNQEISA-N- Molecular formula
- C13H13ClF4O2
- Average molar mass
- 312.69 g/mol
Names & identifiers
- Preferred name
- Ethyl(3R)-2-(4-chloro-2-fluorophenyl)-4,4,4-trifluoro-3-methylbutanoate
- IUPAC
- ethyl (3R)-2-(4-chloro-2-fluorophenyl)-4,4,4-trifluoro-3-methylbutanoate
Names & synonyms
Ethyl(3R)-2-(4-chloro-2-fluorophenyl)-4,4,4-trifluoro-3-methylbutanoateSCHEMBL1930235ethyl (3R)-2-(4-chloro-2-fluorophenyl)-4,4,4-trifluoro-3-methylbutanoate
Database identifiers
- PubChem CID
- 58288366
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 335
Related reactions
2 records
Compound notes
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