Basic information
- Standard SMILES
CCCCC(=O)c1cccc(-c2ccc(C(F)(F)F)cc2)n1- InChIKey
TXJUBPMMPGOYBM-UHFFFAOYSA-N- Molecular formula
- C17H16F3NO
- Average molar mass
- 307.31 g/mol
- Monoisotopic mass
- 307.11839862
Names & identifiers
- Preferred name
- 1-{6-[4-(Trifluoromethyl)phenyl]-2-pyridinyl}-1-pentanone
- IUPAC
- 1-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pentan-1-one
Names & synonyms
1-{6-[4-(Trifluoromethyl)phenyl]-2-pyridinyl}-1-pentanoneSCHEMBL4831439
Database identifiers
- PubChem CID
- 58629901
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 361
Related reactions
3 records
Compound notes
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