N-[4-(trifluoromethyl)phenyl]-3-oxopentanoic acid amide
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Basic information
- Standard SMILES
CCC(=O)CC(=O)Nc1ccc(C(F)(F)F)cc1- InChIKey
KQFHGLHMHZPQGC-UHFFFAOYSA-N- Molecular formula
- C12H12F3NO2
- Average molar mass
- 259.22 g/mol
Names & identifiers
- Preferred name
- N-[4-(trifluoromethyl)phenyl]-3-oxopentanoic acid amide
- IUPAC
- 3-oxo-N-[4-(trifluoromethyl)phenyl]pentanamide
Names & synonyms
N-[4-(trifluoromethyl)phenyl]-3-oxopentanoic acid amideSCHEMBL5510710
Database identifiers
- PubChem CID
- 11961981
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 307
Related reactions
4 records
Compound notes
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