1-(difluoromethyl)-3-ethylpyridin-2-one

C8H9F2NO — CID 177136137

IUPAC1-(difluoromethyl)-3-ethylpyridin-2-one
SMILESCCc1cccn(C(F)F)c1=O
InChIInChI=1S/C8H9F2NO/c1-2-6-4-3-5-11(7(6)12)8(9)10/h3-5,8H,2H2,1H3
InChIKeyHKYSSOJUOSXLOZ-UHFFFAOYSA-N
MW173.16 g/mol
LogP1.81
Rot. Bonds2

About 1-(difluoromethyl)-3-ethylpyridin-2-one

1-(difluoromethyl)-3-ethylpyridin-2-one (PubChem CID 177136137) has the molecular formula C8H9F2NO and a molecular weight of 173.16 g/mol. Its IUPAC name is 1-(difluoromethyl)-3-ethylpyridin-2-one.

Molecular Properties

Compound Name1-(difluoromethyl)-3-ethylpyridin-2-one
PubChem CID177136137
Molecular FormulaC8H9F2NO
Molecular Weight173.16 g/mol
Exact Mass173.07
IUPAC Name1-(difluoromethyl)-3-ethylpyridin-2-one
SMILESCCc1cccn(C(F)F)c1=O
InChIInChI=1S/C8H9F2NO/c1-2-6-4-3-5-11(7(6)12)8(9)10/h3-5,8H,2H2,1H3
InChIKeyHKYSSOJUOSXLOZ-UHFFFAOYSA-N
XLogP1.81
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.16
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(difluoromethyl)-3-ethylpyridin-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

1-butan-2-yl-3-(methylaminomethyl)pyridin-2-one
CID 82526863
3-[(butan-2-ylamino)methyl]-1-propan-2-ylpyridin-2-one
CID 82527159
1,3-dimethylpyridin-2-one;ethane;3-ethyl-1-methylpyridin-2-one
CID 145026710
3-(2-oxo-1-propan-2-yl-3-pyridinyl)propanoic acid
CID 82527096
1-[1-(difluoromethyl)pyrrol-2-yl]-N-ethylethanamine
CID 79102855
1-(cyclopropylmethyl)-3-ethylpyridin-2-one
CID 178099150
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-ethylaniline
CID 43112046
1-(difluoromethyl)-5-ethylpyrimidine-2,4-dione
CID 66329938
3-ethyl-1-[1-(2-fluoroethyl)piperidin-4-yl]pyridin-2-one
CID 156737838
3-ethyl-1-[(3-propan-2-ylphenyl)methyl]pyridin-2-one
CID 174602974
1-[1-amino-3-(4-phenylcyclohexyl)oxypropan-2-yl]-3-ethylpyridin-2-one;sulfur monoxide
CID 166542216
N-[[1-(difluoromethyl)pyrrol-2-yl]methyl]-2-methylpropan-1-amine
CID 66402051

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-3-ethylpyridin-2-one?
The IUPAC name of 1-(difluoromethyl)-3-ethylpyridin-2-one (CID 177136137) is 1-(difluoromethyl)-3-ethylpyridin-2-one.
What is the SMILES notation for 1-(difluoromethyl)-3-ethylpyridin-2-one?
The canonical SMILES for 1-(difluoromethyl)-3-ethylpyridin-2-one is CCc1cccn(C(F)F)c1=O.
What is the InChIKey of 1-(difluoromethyl)-3-ethylpyridin-2-one?
The InChIKey is HKYSSOJUOSXLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO/c1-2-6-4-3-5-11(7(6)12)8(9)10/h3-5,8H,2H2,1H3.
What are the key properties of 1-(difluoromethyl)-3-ethylpyridin-2-one?
1-(difluoromethyl)-3-ethylpyridin-2-one has a molecular weight of 173.16 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-3-ethylpyridin-2-one is sourced from PubChem (CID 177136137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).