1-(2,2-difluorocyclopropyl)pyridin-2-one

C8H7F2NO — CID 89497517

IUPAC1-(2,2-difluorocyclopropyl)pyridin-2-one
SMILESO=c1ccccn1C1CC1(F)F
InChIInChI=1S/C8H7F2NO/c9-8(10)5-6(8)11-4-2-1-3-7(11)12/h1-4,6H,5H2
InChIKeyBHWFRMUBUPWCQC-UHFFFAOYSA-N
MW171.15 g/mol
LogP1.43
Rot. Bonds1

About 1-(2,2-difluorocyclopropyl)pyridin-2-one

1-(2,2-difluorocyclopropyl)pyridin-2-one (PubChem CID 89497517) has the molecular formula C8H7F2NO and a molecular weight of 171.15 g/mol. Its IUPAC name is 1-(2,2-difluorocyclopropyl)pyridin-2-one.

Molecular Properties

Compound Name1-(2,2-difluorocyclopropyl)pyridin-2-one
PubChem CID89497517
Molecular FormulaC8H7F2NO
Molecular Weight171.15 g/mol
Exact Mass171.05
IUPAC Name1-(2,2-difluorocyclopropyl)pyridin-2-one
SMILESO=c1ccccn1C1CC1(F)F
InChIInChI=1S/C8H7F2NO/c9-8(10)5-6(8)11-4-2-1-3-7(11)12/h1-4,6H,5H2
InChIKeyBHWFRMUBUPWCQC-UHFFFAOYSA-N
XLogP1.43
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.15
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2,2-difluorocyclopropyl)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 1-(2,2-difluorocyclopropyl)pyridin-2-one?
The IUPAC name of 1-(2,2-difluorocyclopropyl)pyridin-2-one (CID 89497517) is 1-(2,2-difluorocyclopropyl)pyridin-2-one.
What is the SMILES notation for 1-(2,2-difluorocyclopropyl)pyridin-2-one?
The canonical SMILES for 1-(2,2-difluorocyclopropyl)pyridin-2-one is O=c1ccccn1C1CC1(F)F.
What is the InChIKey of 1-(2,2-difluorocyclopropyl)pyridin-2-one?
The InChIKey is BHWFRMUBUPWCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO/c9-8(10)5-6(8)11-4-2-1-3-7(11)12/h1-4,6H,5H2.
What are the key properties of 1-(2,2-difluorocyclopropyl)pyridin-2-one?
1-(2,2-difluorocyclopropyl)pyridin-2-one has a molecular weight of 171.15 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluorocyclopropyl)pyridin-2-one is sourced from PubChem (CID 89497517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).