4-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)-1H-pyridin-2-one

C7H3F6NO — CID 118829779

IUPAC4-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]c(F)cc(C(F)F)c1C(F)(F)F
InChIInChI=1S/C7H3F6NO/c8-3-1-2(5(9)10)4(6(15)14-3)7(11,12)13/h1,5H,(H,14,15)
InChIKeyFEVHOPRSCDUREW-UHFFFAOYSA-N
MW231.10 g/mol
LogP2.47
Rot. Bonds1

About 4-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)-1H-pyridin-2-one

4-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 118829779) has the molecular formula C7H3F6NO and a molecular weight of 231.10 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID118829779
Molecular FormulaC7H3F6NO
Molecular Weight231.10 g/mol
Exact Mass231.01
IUPAC Name4-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]c(F)cc(C(F)F)c1C(F)(F)F
InChIInChI=1S/C7H3F6NO/c8-3-1-2(5(9)10)4(6(15)14-3)7(11,12)13/h1,5H,(H,14,15)
InChIKeyFEVHOPRSCDUREW-UHFFFAOYSA-N
XLogP2.47
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.10
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-(difluoromethyl)-6-fluoro-3-(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

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 4-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)-1H-pyridin-2-one (CID 118829779) is 4-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 4-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)-1H-pyridin-2-one is O=c1[nH]c(F)cc(C(F)F)c1C(F)(F)F.
What is the InChIKey of 4-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is FEVHOPRSCDUREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F6NO/c8-3-1-2(5(9)10)4(6(15)14-3)7(11,12)13/h1,5H,(H,14,15).
What are the key properties of 4-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)-1H-pyridin-2-one?
4-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 231.10 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 118829779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).