Basic information
- Standard SMILES
COC(=O)CC(C)(O)C(F)(F)F- InChIKey
SMVYTQYMEGOCJQ-UHFFFAOYSA-N- Molecular formula
- C6H9F3O3
- Average molar mass
- 186.13 g/mol
Names & identifiers
- Preferred name
- 3-(Trifluoromethyl)-3-hydroxybutyric acid methyl ester
- IUPAC
- methyl 4,4,4-trifluoro-3-hydroxy-3-methylbutanoate
Names & synonyms
3-(trifluoromethyl)-3-hydroxybutyric acid methyl esterSCHEMBL3197576
Database identifiers
- PubChem CID
- 85646493
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 177
Related reactions
3 records
Compound notes
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