4-(1,1-difluoropropyl)-6-methyl-1H-pyridin-2-one

C9H11F2NO — CID 121440112

IUPAC4-(1,1-difluoropropyl)-6-methyl-1H-pyridin-2-one
SMILESCCC(F)(F)c1cc(C)[nH]c(=O)c1
InChIInChI=1S/C9H11F2NO/c1-3-9(10,11)7-4-6(2)12-8(13)5-7/h4-5H,3H2,1-2H3,(H,12,13)
InChIKeyHQEMEBRBXFMSEK-UHFFFAOYSA-N
MW187.19 g/mol
LogP2.19
Rot. Bonds2

About 4-(1,1-difluoropropyl)-6-methyl-1H-pyridin-2-one

4-(1,1-difluoropropyl)-6-methyl-1H-pyridin-2-one (PubChem CID 121440112) has the molecular formula C9H11F2NO and a molecular weight of 187.19 g/mol. Its IUPAC name is 4-(1,1-difluoropropyl)-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(1,1-difluoropropyl)-6-methyl-1H-pyridin-2-one
PubChem CID121440112
Molecular FormulaC9H11F2NO
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name4-(1,1-difluoropropyl)-6-methyl-1H-pyridin-2-one
SMILESCCC(F)(F)c1cc(C)[nH]c(=O)c1
InChIInChI=1S/C9H11F2NO/c1-3-9(10,11)7-4-6(2)12-8(13)5-7/h4-5H,3H2,1-2H3,(H,12,13)
InChIKeyHQEMEBRBXFMSEK-UHFFFAOYSA-N
XLogP2.19
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(1,1-difluoropropyl)-6-methyl-1H-pyridin-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 4-(1,1-difluoropropyl)-6-methyl-1H-pyridin-2-one?
The IUPAC name of 4-(1,1-difluoropropyl)-6-methyl-1H-pyridin-2-one (CID 121440112) is 4-(1,1-difluoropropyl)-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 4-(1,1-difluoropropyl)-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 4-(1,1-difluoropropyl)-6-methyl-1H-pyridin-2-one is CCC(F)(F)c1cc(C)[nH]c(=O)c1.
What is the InChIKey of 4-(1,1-difluoropropyl)-6-methyl-1H-pyridin-2-one?
The InChIKey is HQEMEBRBXFMSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO/c1-3-9(10,11)7-4-6(2)12-8(13)5-7/h4-5H,3H2,1-2H3,(H,12,13).
What are the key properties of 4-(1,1-difluoropropyl)-6-methyl-1H-pyridin-2-one?
4-(1,1-difluoropropyl)-6-methyl-1H-pyridin-2-one has a molecular weight of 187.19 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoropropyl)-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 121440112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).