Basic information
- Standard SMILES
O=c1ccc(C(F)(F)F)cn1Cc1ccccc1F- InChIKey
UIAYXJPPPBABPM-UHFFFAOYSA-N- Molecular formula
- C13H9F4NO
- Average molar mass
- 271.21 g/mol
Names & identifiers
- Preferred name
- 1-(2-fluorobenzyl)-5-(trifluoromethyl)pyridin-2(1H)-one
- IUPAC
- 1-[(2-fluorophenyl)methyl]-5-(trifluoromethyl)pyridin-2-one
Names & synonyms
1-(2-fluorobenzyl)-5-(trifluoromethyl)pyridin-2(1H)-oneSCHEMBL6116579CHEMBL1957125AKOS016551273CCG-296571Z25701735
Database identifiers
- PubChem CID
- 45838451
- ChEMBL
CHEMBL1957125
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 413
Related reactions
1 records
Compound notes
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