Basic information
- Standard SMILES
COC(=O)C(CNCC(F)(F)F)c1ccc(Cl)cc1- InChIKey
YNUVWASMCDXSFY-UHFFFAOYSA-N- Molecular formula
- C12H13ClF3NO2
- Average molar mass
- 295.68 g/mol
Names & identifiers
- Preferred name
- Methyl 2-(4-chlorophenyl)-3-(2,2,2-trifluoroethylamino)propanoate
- IUPAC
- methyl 2-(4-chlorophenyl)-3-(2,2,2-trifluoroethylamino)propanoate
Names & synonyms
methyl 2-(4-chlorophenyl)-3-(2,2,2-trifluoroethylamino)propanoateSCHEMBL191445
Database identifiers
- PubChem CID
- 66617993
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 291
Related reactions
11 records
Compound notes
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