1-(2,2-difluoroethyl)-3-methylpyridin-2-one

C8H9F2NO — CID 115978281

IUPAC1-(2,2-difluoroethyl)-3-methylpyridin-2-one
SMILESCc1cccn(CC(F)F)c1=O
InChIInChI=1S/C8H9F2NO/c1-6-3-2-4-11(8(6)12)5-7(9)10/h2-4,7H,5H2,1H3
InChIKeyUPGIRZDEOPAJAV-UHFFFAOYSA-N
MW173.16 g/mol
LogP1.42
Rot. Bonds2

About 1-(2,2-difluoroethyl)-3-methylpyridin-2-one

1-(2,2-difluoroethyl)-3-methylpyridin-2-one (PubChem CID 115978281) has the molecular formula C8H9F2NO and a molecular weight of 173.16 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3-methylpyridin-2-one.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3-methylpyridin-2-one
PubChem CID115978281
Molecular FormulaC8H9F2NO
Molecular Weight173.16 g/mol
Exact Mass173.07
IUPAC Name1-(2,2-difluoroethyl)-3-methylpyridin-2-one
SMILESCc1cccn(CC(F)F)c1=O
InChIInChI=1S/C8H9F2NO/c1-6-3-2-4-11(8(6)12)5-7(9)10/h2-4,7H,5H2,1H3
InChIKeyUPGIRZDEOPAJAV-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Propyl-2(1H)-pyridinone
CID 140460
1-Butyl-2(1H)-pyridinone
CID 141350
1,3-Dimethyl-2-pyridone
CID 285480
2-Oxo-3-(trifluoromethyl)-1(2H)-pyridinepropanenitrile
CID 2736731
1-(Difluoromethyl)-3-(trifluoromethyl)pyridin-2-one
CID 162414339
1-(2-Methylpropyl)pyridin-2-one
CID 12013020
N-Methylacetyl-6-pyridon
CID 17993079
2(1H)-Pyridinone, 4-methyl-1-propyl-
CID 45082947
1-[(1-Methyl-2-oxopyridin-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
CID 53530146
1-[(3,3-Difluorocyclobutyl)methyl]-3-methylpyridin-2-one
CID 132299600
(2Z,4E)-N,N-dibutyl-2-(trifluoromethyl)hexa-2,4-dienamide
CID 15399693
1,3-Dimethyl-6-(trifluoromethyl)pyridin-2-one
CID 22890211

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-3-methylpyridin-2-one?
The IUPAC name of 1-(2,2-difluoroethyl)-3-methylpyridin-2-one (CID 115978281) is 1-(2,2-difluoroethyl)-3-methylpyridin-2-one.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3-methylpyridin-2-one?
The canonical SMILES for 1-(2,2-difluoroethyl)-3-methylpyridin-2-one is Cc1cccn(CC(F)F)c1=O.
What is the InChIKey of 1-(2,2-difluoroethyl)-3-methylpyridin-2-one?
The InChIKey is UPGIRZDEOPAJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO/c1-6-3-2-4-11(8(6)12)5-7(9)10/h2-4,7H,5H2,1H3.
What are the key properties of 1-(2,2-difluoroethyl)-3-methylpyridin-2-one?
1-(2,2-difluoroethyl)-3-methylpyridin-2-one has a molecular weight of 173.16 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-3-methylpyridin-2-one is sourced from PubChem (CID 115978281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).