5-(1,1-difluoro-2-oxopropyl)-1-methylpyridin-2-one

C9H9F2NO2 — CID 144997310

IUPAC5-(1,1-difluoro-2-oxopropyl)-1-methylpyridin-2-one
SMILESCC(=O)C(F)(F)c1ccc(=O)n(C)c1
InChIInChI=1S/C9H9F2NO2/c1-6(13)9(10,11)7-3-4-8(14)12(2)5-7/h3-5H,1-2H3
InChIKeyUHENOYXHRCTYCY-UHFFFAOYSA-N
MW201.17 g/mol
LogP1.07
Rot. Bonds2

About 5-(1,1-difluoro-2-oxopropyl)-1-methylpyridin-2-one

5-(1,1-difluoro-2-oxopropyl)-1-methylpyridin-2-one (PubChem CID 144997310) has the molecular formula C9H9F2NO2 and a molecular weight of 201.17 g/mol. Its IUPAC name is 5-(1,1-difluoro-2-oxopropyl)-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-(1,1-difluoro-2-oxopropyl)-1-methylpyridin-2-one
PubChem CID144997310
Molecular FormulaC9H9F2NO2
Molecular Weight201.17 g/mol
Exact Mass201.06
IUPAC Name5-(1,1-difluoro-2-oxopropyl)-1-methylpyridin-2-one
SMILESCC(=O)C(F)(F)c1ccc(=O)n(C)c1
InChIInChI=1S/C9H9F2NO2/c1-6(13)9(10,11)7-3-4-8(14)12(2)5-7/h3-5H,1-2H3
InChIKeyUHENOYXHRCTYCY-UHFFFAOYSA-N
XLogP1.07
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.17
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Acetyl-1-methylpyridin-2(1H)-one
CID 14665251
5-Butyryl-1-methyl-2(1H)-pyridinone
CID 370862
1-(2-Oxopropyl)-5-(trifluoromethyl)-1,2-dihydropyridin-2-one
CID 60643006
1-[(3E)-3-(dimethylaminomethylidene)-4-(2,2,2-trifluoroacetyl)cyclopenta-1,4-dien-1-yl]-2,2,2-trifluoroethanone
CID 10946921
1-(3-Oxobutyl)-5-(trifluoromethyl)pyridin-2-one
CID 57986013
1-Ethyl-5-(trifluoromethyl)pyridin-2-one
CID 58147747
5-Propan-2-yl-1-(trifluoromethyl)pyridin-2-one
CID 58450097
5-Tert-butyl-1-(difluoromethyl)pyridin-2-one
CID 89639704
5-Methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one
CID 89642068
1-(Difluoromethyl)-5-ethylpyridin-2-one
CID 89642072
5-Tert-butyl-1-(trifluoromethyl)pyridin-2-one
CID 89697438
5-Ethyl-1-(2,2,2-trifluoroethyl)pyridin-2-one
CID 89969605

Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoro-2-oxopropyl)-1-methylpyridin-2-one?
The IUPAC name of 5-(1,1-difluoro-2-oxopropyl)-1-methylpyridin-2-one (CID 144997310) is 5-(1,1-difluoro-2-oxopropyl)-1-methylpyridin-2-one.
What is the SMILES notation for 5-(1,1-difluoro-2-oxopropyl)-1-methylpyridin-2-one?
The canonical SMILES for 5-(1,1-difluoro-2-oxopropyl)-1-methylpyridin-2-one is CC(=O)C(F)(F)c1ccc(=O)n(C)c1.
What is the InChIKey of 5-(1,1-difluoro-2-oxopropyl)-1-methylpyridin-2-one?
The InChIKey is UHENOYXHRCTYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO2/c1-6(13)9(10,11)7-3-4-8(14)12(2)5-7/h3-5H,1-2H3.
What are the key properties of 5-(1,1-difluoro-2-oxopropyl)-1-methylpyridin-2-one?
5-(1,1-difluoro-2-oxopropyl)-1-methylpyridin-2-one has a molecular weight of 201.17 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoro-2-oxopropyl)-1-methylpyridin-2-one is sourced from PubChem (CID 144997310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).