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

C7H4F5NO — CID 130097113

IUPAC6-(difluoromethyl)-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(C(F)(F)F)cc(C(F)F)[nH]1
InChIInChI=1S/C7H4F5NO/c8-6(9)4-1-3(7(10,11)12)2-5(14)13-4/h1-2,6H,(H,13,14)
InChIKeyWQSQQOYCTJDZOK-UHFFFAOYSA-N
MW213.11 g/mol
LogP2.33
Rot. Bonds1

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

6-(difluoromethyl)-4-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 130097113) has the molecular formula C7H4F5NO and a molecular weight of 213.11 g/mol. Its IUPAC name is 6-(difluoromethyl)-4-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(difluoromethyl)-4-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID130097113
Molecular FormulaC7H4F5NO
Molecular Weight213.11 g/mol
Exact Mass213.02
IUPAC Name6-(difluoromethyl)-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(C(F)(F)F)cc(C(F)F)[nH]1
InChIInChI=1S/C7H4F5NO/c8-6(9)4-1-3(7(10,11)12)2-5(14)13-4/h1-2,6H,(H,13,14)
InChIKeyWQSQQOYCTJDZOK-UHFFFAOYSA-N
XLogP2.33
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.11
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-(difluoromethyl)-4-(trifluoromethyl)-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(hydroxymethyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 130787050
6-(methylamino)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 102719756
6-(3,5-dimethylphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106513664
6-(4-methylphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 15326046
6-propan-2-yl-4-(trifluoromethyl)-1H-pyridine-2-thione
CID 106517874
6-pyrimidin-5-yl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106516207
6-pyridin-4-yl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106515496
4-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-one
CID 106516768
2-(difluoromethyl)-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
CID 130076708
6-(3,4-difluorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106516941
5-(difluoromethyl)-4-methyl-6-(trifluoromethyl)-1H-pyridin-2-one
CID 130083827
2-[6-(difluoromethyl)-2-oxo-3-(trifluoromethyl)-1H-pyridin-4-yl]acetic acid
CID 133101825

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 6-(difluoromethyl)-4-(trifluoromethyl)-1H-pyridin-2-one (CID 130097113) is 6-(difluoromethyl)-4-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(difluoromethyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-(difluoromethyl)-4-(trifluoromethyl)-1H-pyridin-2-one is O=c1cc(C(F)(F)F)cc(C(F)F)[nH]1.
What is the InChIKey of 6-(difluoromethyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is WQSQQOYCTJDZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F5NO/c8-6(9)4-1-3(7(10,11)12)2-5(14)13-4/h1-2,6H,(H,13,14).
What are the key properties of 6-(difluoromethyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
6-(difluoromethyl)-4-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 213.11 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-4-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 130097113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).