Basic information
- Standard SMILES
CCO[C@@H](Cc1ccc(O)cc1C(F)(F)F)C(=O)OC- InChIKey
ZFGZYILWLBFKEB-NSHDSACASA-N- Molecular formula
- C13H15F3O4
- Average molar mass
- 292.25 g/mol
Names & identifiers
- Preferred name
- (2S)-2-ethoxy-3-(4-hydroxy-2-trifluoromethyl-phenyl)-propionic acid methyl ester
- IUPAC
- methyl (2S)-2-ethoxy-3-[4-hydroxy-2-(trifluoromethyl)phenyl]propanoate
Names & synonyms
(2S)-2-ethoxy-3-(4-hydroxy-2-trifluoromethyl-phenyl)-propionic acid methyl esterSCHEMBL5017451
Database identifiers
- PubChem CID
- 69280496
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 319
Related reactions
6 records
Compound notes
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