5-(difluoromethoxy)-1-propan-2-ylpyridin-2-one

C9H11F2NO2 — CID 171101190

IUPAC5-(difluoromethoxy)-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1cc(OC(F)F)ccc1=O
InChIInChI=1S/C9H11F2NO2/c1-6(2)12-5-7(14-9(10)11)3-4-8(12)13/h3-6,9H,1-2H3
InChIKeyUFVSNDAYISCSCF-UHFFFAOYSA-N
MW203.19 g/mol
LogP2.03
Rot. Bonds3

About 5-(difluoromethoxy)-1-propan-2-ylpyridin-2-one

5-(difluoromethoxy)-1-propan-2-ylpyridin-2-one (PubChem CID 171101190) has the molecular formula C9H11F2NO2 and a molecular weight of 203.19 g/mol. Its IUPAC name is 5-(difluoromethoxy)-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name5-(difluoromethoxy)-1-propan-2-ylpyridin-2-one
PubChem CID171101190
Molecular FormulaC9H11F2NO2
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Name5-(difluoromethoxy)-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1cc(OC(F)F)ccc1=O
InChIInChI=1S/C9H11F2NO2/c1-6(2)12-5-7(14-9(10)11)3-4-8(12)13/h3-6,9H,1-2H3
InChIKeyUFVSNDAYISCSCF-UHFFFAOYSA-N
XLogP2.03
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(difluoromethoxy)-1-propan-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 5-(difluoromethoxy)-1-propan-2-ylpyridin-2-one?
The IUPAC name of 5-(difluoromethoxy)-1-propan-2-ylpyridin-2-one (CID 171101190) is 5-(difluoromethoxy)-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 5-(difluoromethoxy)-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 5-(difluoromethoxy)-1-propan-2-ylpyridin-2-one is CC(C)n1cc(OC(F)F)ccc1=O.
What is the InChIKey of 5-(difluoromethoxy)-1-propan-2-ylpyridin-2-one?
The InChIKey is UFVSNDAYISCSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO2/c1-6(2)12-5-7(14-9(10)11)3-4-8(12)13/h3-6,9H,1-2H3.
What are the key properties of 5-(difluoromethoxy)-1-propan-2-ylpyridin-2-one?
5-(difluoromethoxy)-1-propan-2-ylpyridin-2-one has a molecular weight of 203.19 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 171101190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).