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

C8H9F2NO — CID 118857990

IUPAC3-(1,1-difluoroethyl)-1-methylpyridin-2-one
SMILESCn1cccc(C(C)(F)F)c1=O
InChIInChI=1S/C8H9F2NO/c1-8(9,10)6-4-3-5-11(2)7(6)12/h3-5H,1-2H3
InChIKeyKZCFPGMHMXHJHW-UHFFFAOYSA-N
MW173.16 g/mol
LogP1.50
Rot. Bonds1

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

3-(1,1-difluoroethyl)-1-methylpyridin-2-one (PubChem CID 118857990) has the molecular formula C8H9F2NO and a molecular weight of 173.16 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-1-methylpyridin-2-one.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-1-methylpyridin-2-one
PubChem CID118857990
Molecular FormulaC8H9F2NO
Molecular Weight173.16 g/mol
Exact Mass173.07
IUPAC Name3-(1,1-difluoroethyl)-1-methylpyridin-2-one
SMILESCn1cccc(C(C)(F)F)c1=O
InChIInChI=1S/C8H9F2NO/c1-8(9,10)6-4-3-5-11(2)7(6)12/h3-5H,1-2H3
InChIKeyKZCFPGMHMXHJHW-UHFFFAOYSA-N
XLogP1.50
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 ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-1-methylpyridin-2-one?
The IUPAC name of 3-(1,1-difluoroethyl)-1-methylpyridin-2-one (CID 118857990) is 3-(1,1-difluoroethyl)-1-methylpyridin-2-one.
What is the SMILES notation for 3-(1,1-difluoroethyl)-1-methylpyridin-2-one?
The canonical SMILES for 3-(1,1-difluoroethyl)-1-methylpyridin-2-one is Cn1cccc(C(C)(F)F)c1=O.
What is the InChIKey of 3-(1,1-difluoroethyl)-1-methylpyridin-2-one?
The InChIKey is KZCFPGMHMXHJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO/c1-8(9,10)6-4-3-5-11(2)7(6)12/h3-5H,1-2H3.
What are the key properties of 3-(1,1-difluoroethyl)-1-methylpyridin-2-one?
3-(1,1-difluoroethyl)-1-methylpyridin-2-one has a molecular weight of 173.16 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-1-methylpyridin-2-one is sourced from PubChem (CID 118857990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).