Basic information
- Standard SMILES
CCC(=CC(=O)OC)Nc1ccc(C(F)(F)F)cc1- InChIKey
WKSQICNTBFNSSU-UHFFFAOYSA-N- Molecular formula
- C13H14F3NO2
- Average molar mass
- 273.25 g/mol
Names & identifiers
- Preferred name
- Methyl 3-(4-trifluoromethylphenylamino)-2-pentenoate
- IUPAC
- methyl 3-[4-(trifluoromethyl)anilino]pent-2-enoate
Names & synonyms
methyl 3-(4-trifluoromethylphenylamino)-2-pentenoateSCHEMBL3196309
Database identifiers
- PubChem CID
- 68545758
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 331
Related reactions
9 records
Compound notes
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