3-amino-1-(4,4-difluorocyclohexyl)pyridin-2-one

C11H14F2N2O — CID 170791374

IUPAC3-amino-1-(4,4-difluorocyclohexyl)pyridin-2-one
SMILESNc1cccn(C2CCC(F)(F)CC2)c1=O
InChIInChI=1S/C11H14F2N2O/c12-11(13)5-3-8(4-6-11)15-7-1-2-9(14)10(15)16/h1-2,7-8H,3-6,14H2
InChIKeyICOIYDIQJRVKRU-UHFFFAOYSA-N
MW228.24 g/mol
LogP2.18
Rot. Bonds1

About 3-amino-1-(4,4-difluorocyclohexyl)pyridin-2-one

3-amino-1-(4,4-difluorocyclohexyl)pyridin-2-one (PubChem CID 170791374) has the molecular formula C11H14F2N2O and a molecular weight of 228.24 g/mol. Its IUPAC name is 3-amino-1-(4,4-difluorocyclohexyl)pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-(4,4-difluorocyclohexyl)pyridin-2-one
PubChem CID170791374
Molecular FormulaC11H14F2N2O
Molecular Weight228.24 g/mol
Exact Mass228.11
IUPAC Name3-amino-1-(4,4-difluorocyclohexyl)pyridin-2-one
SMILESNc1cccn(C2CCC(F)(F)CC2)c1=O
InChIInChI=1S/C11H14F2N2O/c12-11(13)5-3-8(4-6-11)15-7-1-2-9(14)10(15)16/h1-2,7-8H,3-6,14H2
InChIKeyICOIYDIQJRVKRU-UHFFFAOYSA-N
XLogP2.18
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-amino-1-(4,4-difluorocyclohexyl)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 3-amino-1-(4,4-difluorocyclohexyl)pyridin-2-one?
The IUPAC name of 3-amino-1-(4,4-difluorocyclohexyl)pyridin-2-one (CID 170791374) is 3-amino-1-(4,4-difluorocyclohexyl)pyridin-2-one.
What is the SMILES notation for 3-amino-1-(4,4-difluorocyclohexyl)pyridin-2-one?
The canonical SMILES for 3-amino-1-(4,4-difluorocyclohexyl)pyridin-2-one is Nc1cccn(C2CCC(F)(F)CC2)c1=O.
What is the InChIKey of 3-amino-1-(4,4-difluorocyclohexyl)pyridin-2-one?
The InChIKey is ICOIYDIQJRVKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O/c12-11(13)5-3-8(4-6-11)15-7-1-2-9(14)10(15)16/h1-2,7-8H,3-6,14H2.
What are the key properties of 3-amino-1-(4,4-difluorocyclohexyl)pyridin-2-one?
3-amino-1-(4,4-difluorocyclohexyl)pyridin-2-one has a molecular weight of 228.24 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4,4-difluorocyclohexyl)pyridin-2-one is sourced from PubChem (CID 170791374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).