1-(difluoromethyl)-5-prop-1-en-2-ylpyridin-2-one

C9H9F2NO — CID 123911900

IUPAC1-(difluoromethyl)-5-prop-1-en-2-ylpyridin-2-one
SMILESC=C(C)c1ccc(=O)n(C(F)F)c1
InChIInChI=1S/C9H9F2NO/c1-6(2)7-3-4-8(13)12(5-7)9(10)11/h3-5,9H,1H2,2H3
InChIKeyZMCNVYDXOUSTBP-UHFFFAOYSA-N
MW185.17 g/mol
LogP2.28
Rot. Bonds2

About 1-(difluoromethyl)-5-prop-1-en-2-ylpyridin-2-one

1-(difluoromethyl)-5-prop-1-en-2-ylpyridin-2-one (PubChem CID 123911900) has the molecular formula C9H9F2NO and a molecular weight of 185.17 g/mol. Its IUPAC name is 1-(difluoromethyl)-5-prop-1-en-2-ylpyridin-2-one.

Molecular Properties

Compound Name1-(difluoromethyl)-5-prop-1-en-2-ylpyridin-2-one
PubChem CID123911900
Molecular FormulaC9H9F2NO
Molecular Weight185.17 g/mol
Exact Mass185.07
IUPAC Name1-(difluoromethyl)-5-prop-1-en-2-ylpyridin-2-one
SMILESC=C(C)c1ccc(=O)n(C(F)F)c1
InChIInChI=1S/C9H9F2NO/c1-6(2)7-3-4-8(13)12(5-7)9(10)11/h3-5,9H,1H2,2H3
InChIKeyZMCNVYDXOUSTBP-UHFFFAOYSA-N
XLogP2.28
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.17
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(difluoromethyl)-5-prop-1-en-2-ylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-5-prop-1-en-2-ylpyridin-2-one?
The IUPAC name of 1-(difluoromethyl)-5-prop-1-en-2-ylpyridin-2-one (CID 123911900) is 1-(difluoromethyl)-5-prop-1-en-2-ylpyridin-2-one.
What is the SMILES notation for 1-(difluoromethyl)-5-prop-1-en-2-ylpyridin-2-one?
The canonical SMILES for 1-(difluoromethyl)-5-prop-1-en-2-ylpyridin-2-one is C=C(C)c1ccc(=O)n(C(F)F)c1.
What is the InChIKey of 1-(difluoromethyl)-5-prop-1-en-2-ylpyridin-2-one?
The InChIKey is ZMCNVYDXOUSTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO/c1-6(2)7-3-4-8(13)12(5-7)9(10)11/h3-5,9H,1H2,2H3.
What are the key properties of 1-(difluoromethyl)-5-prop-1-en-2-ylpyridin-2-one?
1-(difluoromethyl)-5-prop-1-en-2-ylpyridin-2-one has a molecular weight of 185.17 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-5-prop-1-en-2-ylpyridin-2-one is sourced from PubChem (CID 123911900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).