1-(2,2-difluoroethyl)-5-methylpyridin-2-one

C8H9F2NO — CID 90440078

IUPAC1-(2,2-difluoroethyl)-5-methylpyridin-2-one
SMILESCc1ccc(=O)n(CC(F)F)c1
InChIInChI=1S/C8H9F2NO/c1-6-2-3-8(12)11(4-6)5-7(9)10/h2-4,7H,5H2,1H3
InChIKeyDGLWDEWFADGLTL-UHFFFAOYSA-N
MW173.16 g/mol
LogP1.42
Rot. Bonds2

About 1-(2,2-difluoroethyl)-5-methylpyridin-2-one

1-(2,2-difluoroethyl)-5-methylpyridin-2-one (PubChem CID 90440078) has the molecular formula C8H9F2NO and a molecular weight of 173.16 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-5-methylpyridin-2-one.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-5-methylpyridin-2-one
PubChem CID90440078
Molecular FormulaC8H9F2NO
Molecular Weight173.16 g/mol
Exact Mass173.07
IUPAC Name1-(2,2-difluoroethyl)-5-methylpyridin-2-one
SMILESCc1ccc(=O)n(CC(F)F)c1
InChIInChI=1S/C8H9F2NO/c1-6-2-3-8(12)11(4-6)5-7(9)10/h2-4,7H,5H2,1H3
InChIKeyDGLWDEWFADGLTL-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

3-(2-Oxo-5-(trifluoromethyl)pyridin-1(2H)-yl)propanenitrile
CID 2736732
2(1H)-Pyridinone, 1-methyl-5-(trifluoromethyl)-
CID 4534802
1-(3,3,3-Trifluoro-1-pentafluoroethyl-2-trifluorometh-ylpropenyl)-1h-pyridin-2-one
CID 12726242
1-(5-Ethenyl-1,2,3,6-tetrahydropyridin-1-yl)-2,2,2-trifluoroethan-1-one
CID 86093580
2-Ethylisoquinolin-3-one
CID 12435499
5-Ethyl-1-propylpyridin-2-one
CID 13169254
1-Vinyl-5-methyl-2-pyridone
CID 14323033
1-[(1-Methyl-2-oxopyridin-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
CID 53530146
1-(2-Oxopropyl)-5-(trifluoromethyl)-1,2-dihydropyridin-2-one
CID 60643006
1-(2-Aminoethyl)-5-(trifluoromethyl)-1,2-dihydropyridin-2-one
CID 63279488
1-(2-Methoxyethyl)-5-(trifluoromethyl)pyridin-2-one
CID 84313614
1-(Cyclobutylmethyl)-5-(trifluoromethyl)pyridin-2-one
CID 84584960

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-5-methylpyridin-2-one?
The IUPAC name of 1-(2,2-difluoroethyl)-5-methylpyridin-2-one (CID 90440078) is 1-(2,2-difluoroethyl)-5-methylpyridin-2-one.
What is the SMILES notation for 1-(2,2-difluoroethyl)-5-methylpyridin-2-one?
The canonical SMILES for 1-(2,2-difluoroethyl)-5-methylpyridin-2-one is Cc1ccc(=O)n(CC(F)F)c1.
What is the InChIKey of 1-(2,2-difluoroethyl)-5-methylpyridin-2-one?
The InChIKey is DGLWDEWFADGLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO/c1-6-2-3-8(12)11(4-6)5-7(9)10/h2-4,7H,5H2,1H3.
What are the key properties of 1-(2,2-difluoroethyl)-5-methylpyridin-2-one?
1-(2,2-difluoroethyl)-5-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)-5-methylpyridin-2-one is sourced from PubChem (CID 90440078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).