3-(1,1-difluoroethyl)-5-methyl-1H-pyridin-2-one

C8H9F2NO — CID 123878957

IUPAC3-(1,1-difluoroethyl)-5-methyl-1H-pyridin-2-one
SMILESCc1c[nH]c(=O)c(C(C)(F)F)c1
InChIInChI=1S/C8H9F2NO/c1-5-3-6(8(2,9)10)7(12)11-4-5/h3-4H,1-2H3,(H,11,12)
InChIKeyKGPONXYQWYJSPQ-UHFFFAOYSA-N
MW173.16 g/mol
LogP1.80
Rot. Bonds1

About 3-(1,1-difluoroethyl)-5-methyl-1H-pyridin-2-one

3-(1,1-difluoroethyl)-5-methyl-1H-pyridin-2-one (PubChem CID 123878957) has the molecular formula C8H9F2NO and a molecular weight of 173.16 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-5-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-5-methyl-1H-pyridin-2-one
PubChem CID123878957
Molecular FormulaC8H9F2NO
Molecular Weight173.16 g/mol
Exact Mass173.07
IUPAC Name3-(1,1-difluoroethyl)-5-methyl-1H-pyridin-2-one
SMILESCc1c[nH]c(=O)c(C(C)(F)F)c1
InChIInChI=1S/C8H9F2NO/c1-5-3-6(8(2,9)10)7(12)11-4-5/h3-4H,1-2H3,(H,11,12)
InChIKeyKGPONXYQWYJSPQ-UHFFFAOYSA-N
XLogP1.80
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.16
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-5-methyl-1H-pyridin-2-one?
The IUPAC name of 3-(1,1-difluoroethyl)-5-methyl-1H-pyridin-2-one (CID 123878957) is 3-(1,1-difluoroethyl)-5-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-(1,1-difluoroethyl)-5-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-(1,1-difluoroethyl)-5-methyl-1H-pyridin-2-one is Cc1c[nH]c(=O)c(C(C)(F)F)c1.
What is the InChIKey of 3-(1,1-difluoroethyl)-5-methyl-1H-pyridin-2-one?
The InChIKey is KGPONXYQWYJSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO/c1-5-3-6(8(2,9)10)7(12)11-4-5/h3-4H,1-2H3,(H,11,12).
What are the key properties of 3-(1,1-difluoroethyl)-5-methyl-1H-pyridin-2-one?
3-(1,1-difluoroethyl)-5-methyl-1H-pyridin-2-one has a molecular weight of 173.16 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-5-methyl-1H-pyridin-2-one is sourced from PubChem (CID 123878957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).