2-(difluoromethyl)-1,5-dimethylpyridin-4-one

C8H9F2NO — CID 59818294

IUPAC2-(difluoromethyl)-1,5-dimethylpyridin-4-one
SMILESCc1cn(C)c(C(F)F)cc1=O
InChIInChI=1S/C8H9F2NO/c1-5-4-11(2)6(8(9)10)3-7(5)12/h3-4,8H,1-2H3
InChIKeyWFLYBPROOQXMAI-UHFFFAOYSA-N
MW173.16 g/mol
LogP1.63
Rot. Bonds1

About 2-(difluoromethyl)-1,5-dimethylpyridin-4-one

2-(difluoromethyl)-1,5-dimethylpyridin-4-one (PubChem CID 59818294) has the molecular formula C8H9F2NO and a molecular weight of 173.16 g/mol. Its IUPAC name is 2-(difluoromethyl)-1,5-dimethylpyridin-4-one.

Molecular Properties

Compound Name2-(difluoromethyl)-1,5-dimethylpyridin-4-one
PubChem CID59818294
Molecular FormulaC8H9F2NO
Molecular Weight173.16 g/mol
Exact Mass173.07
IUPAC Name2-(difluoromethyl)-1,5-dimethylpyridin-4-one
SMILESCc1cn(C)c(C(F)F)cc1=O
InChIInChI=1S/C8H9F2NO/c1-5-4-11(2)6(8(9)10)3-7(5)12/h3-4,8H,1-2H3
InChIKeyWFLYBPROOQXMAI-UHFFFAOYSA-N
XLogP1.63
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.16
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1,5-dimethylpyridin-4-one?
The IUPAC name of 2-(difluoromethyl)-1,5-dimethylpyridin-4-one (CID 59818294) is 2-(difluoromethyl)-1,5-dimethylpyridin-4-one.
What is the SMILES notation for 2-(difluoromethyl)-1,5-dimethylpyridin-4-one?
The canonical SMILES for 2-(difluoromethyl)-1,5-dimethylpyridin-4-one is Cc1cn(C)c(C(F)F)cc1=O.
What is the InChIKey of 2-(difluoromethyl)-1,5-dimethylpyridin-4-one?
The InChIKey is WFLYBPROOQXMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO/c1-5-4-11(2)6(8(9)10)3-7(5)12/h3-4,8H,1-2H3.
What are the key properties of 2-(difluoromethyl)-1,5-dimethylpyridin-4-one?
2-(difluoromethyl)-1,5-dimethylpyridin-4-one has a molecular weight of 173.16 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1,5-dimethylpyridin-4-one is sourced from PubChem (CID 59818294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).