2-(1,1-difluoroethyl)-1H-pyridin-4-one

C7H7F2NO — CID 73424936

IUPAC2-(1,1-difluoroethyl)-1H-pyridin-4-one
SMILESCC(F)(F)c1cc(=O)cc[nH]1
InChIInChI=1S/C7H7F2NO/c1-7(8,9)6-4-5(11)2-3-10-6/h2-4H,1H3,(H,10,11)
InChIKeyJSEOXILDUHSBRE-UHFFFAOYSA-N
MW159.13 g/mol
LogP1.49
Rot. Bonds1

About 2-(1,1-difluoroethyl)-1H-pyridin-4-one

2-(1,1-difluoroethyl)-1H-pyridin-4-one (PubChem CID 73424936) has the molecular formula C7H7F2NO and a molecular weight of 159.13 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-1H-pyridin-4-one
PubChem CID73424936
Molecular FormulaC7H7F2NO
Molecular Weight159.13 g/mol
Exact Mass159.05
IUPAC Name2-(1,1-difluoroethyl)-1H-pyridin-4-one
SMILESCC(F)(F)c1cc(=O)cc[nH]1
InChIInChI=1S/C7H7F2NO/c1-7(8,9)6-4-5(11)2-3-10-6/h2-4H,1H3,(H,10,11)
InChIKeyJSEOXILDUHSBRE-UHFFFAOYSA-N
XLogP1.49
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.13
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(1,1-difluoroethyl)-1H-pyridin-4-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

2-Methylpyridin-4-ol
CID 140400
2-(Trifluoromethyl)pyridin-4-ol
CID 10953849
5-Methyl-2-(trifluoromethyl)pyridin-4-ol
CID 15836685
2-(Difluoromethyl)pyridin-4-ol
CID 17968263
5-Iodo-2-(trifluoromethyl)-4-pyridinol
CID 58053807
5-Fluoro-2-methylpyridin-4-OL
CID 127032713
(Z)-5,5,5-trifluoro-4-(methylamino)pent-3-en-2-one
CID 13633959
1-Methyl-2-(trifluoromethyl)-1,4-dihydropyridin-4-one
CID 55264879
5-Amino-2-(trifluoromethyl)pyridin-4-ol
CID 57347020
2-propan-2-yl-3-(trifluoromethyl)-1H-pyridin-4-one
CID 58439432
2-ethyl-3-(trifluoromethyl)-1H-pyridin-4-one
CID 68387638
2-(1,1,1-Trifluoro-2-methylpropan-2-YL)pyridin-4(1H)-one
CID 71682809

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-1H-pyridin-4-one?
The IUPAC name of 2-(1,1-difluoroethyl)-1H-pyridin-4-one (CID 73424936) is 2-(1,1-difluoroethyl)-1H-pyridin-4-one.
What is the SMILES notation for 2-(1,1-difluoroethyl)-1H-pyridin-4-one?
The canonical SMILES for 2-(1,1-difluoroethyl)-1H-pyridin-4-one is CC(F)(F)c1cc(=O)cc[nH]1.
What is the InChIKey of 2-(1,1-difluoroethyl)-1H-pyridin-4-one?
The InChIKey is JSEOXILDUHSBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NO/c1-7(8,9)6-4-5(11)2-3-10-6/h2-4H,1H3,(H,10,11).
What are the key properties of 2-(1,1-difluoroethyl)-1H-pyridin-4-one?
2-(1,1-difluoroethyl)-1H-pyridin-4-one has a molecular weight of 159.13 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)-1H-pyridin-4-one is sourced from PubChem (CID 73424936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).