6-phenyl-4-(trifluoromethyl)-1H-pyridin-2-one

C12H8F3NO — CID 15326045

IUPAC6-phenyl-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(C(F)(F)F)cc(-c2ccccc2)[nH]1
InChIInChI=1S/C12H8F3NO/c13-12(14,15)9-6-10(16-11(17)7-9)8-4-2-1-3-5-8/h1-7H,(H,16,17)
InChIKeyWBOFHZOUVBKGQK-UHFFFAOYSA-N
MW239.20 g/mol
LogP3.06
Rot. Bonds1

About 6-phenyl-4-(trifluoromethyl)-1H-pyridin-2-one

6-phenyl-4-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 15326045) has the molecular formula C12H8F3NO and a molecular weight of 239.20 g/mol. Its IUPAC name is 6-phenyl-4-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-phenyl-4-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID15326045
Molecular FormulaC12H8F3NO
Molecular Weight239.20 g/mol
Exact Mass239.06
IUPAC Name6-phenyl-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(C(F)(F)F)cc(-c2ccccc2)[nH]1
InChIInChI=1S/C12H8F3NO/c13-12(14,15)9-6-10(16-11(17)7-9)8-4-2-1-3-5-8/h1-7H,(H,16,17)
InChIKeyWBOFHZOUVBKGQK-UHFFFAOYSA-N
XLogP3.06
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-4-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 6-phenyl-4-(trifluoromethyl)-1H-pyridin-2-one (CID 15326045) is 6-phenyl-4-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-phenyl-4-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-phenyl-4-(trifluoromethyl)-1H-pyridin-2-one is O=c1cc(C(F)(F)F)cc(-c2ccccc2)[nH]1.
What is the InChIKey of 6-phenyl-4-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is WBOFHZOUVBKGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO/c13-12(14,15)9-6-10(16-11(17)7-9)8-4-2-1-3-5-8/h1-7H,(H,16,17).
What are the key properties of 6-phenyl-4-(trifluoromethyl)-1H-pyridin-2-one?
6-phenyl-4-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 239.20 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-4-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 15326045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).