6-(8,8-difluoro-3-azabicyclo[3.2.1]octane-3-carbonyl)-1-methylpyridin-2-one

C14H16F2N2O2 — CID 131688789

IUPAC6-(8,8-difluoro-3-azabicyclo[3.2.1]octane-3-carbonyl)-1-methylpyridin-2-one
SMILESCn1c(C(=O)N2CC3CCC(C2)C3(F)F)cccc1=O
InChIInChI=1S/C14H16F2N2O2/c1-17-11(3-2-4-12(17)19)13(20)18-7-9-5-6-10(8-18)14(9,15)16/h2-4,9-10H,5-8H2,1H3
InChIKeyFDVCRSIMXXJRSX-UHFFFAOYSA-N
MW282.29 g/mol
LogP1.50
Rot. Bonds1

About 6-(8,8-difluoro-3-azabicyclo[3.2.1]octane-3-carbonyl)-1-methylpyridin-2-one

6-(8,8-difluoro-3-azabicyclo[3.2.1]octane-3-carbonyl)-1-methylpyridin-2-one (PubChem CID 131688789) has the molecular formula C14H16F2N2O2 and a molecular weight of 282.29 g/mol. Its IUPAC name is 6-(8,8-difluoro-3-azabicyclo[3.2.1]octane-3-carbonyl)-1-methylpyridin-2-one.

Molecular Properties

Compound Name6-(8,8-difluoro-3-azabicyclo[3.2.1]octane-3-carbonyl)-1-methylpyridin-2-one
PubChem CID131688789
Molecular FormulaC14H16F2N2O2
Molecular Weight282.29 g/mol
Exact Mass282.12
IUPAC Name6-(8,8-difluoro-3-azabicyclo[3.2.1]octane-3-carbonyl)-1-methylpyridin-2-one
SMILESCn1c(C(=O)N2CC3CCC(C2)C3(F)F)cccc1=O
InChIInChI=1S/C14H16F2N2O2/c1-17-11(3-2-4-12(17)19)13(20)18-7-9-5-6-10(8-18)14(9,15)16/h2-4,9-10H,5-8H2,1H3
InChIKeyFDVCRSIMXXJRSX-UHFFFAOYSA-N
XLogP1.50
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-(8,8-difluoro-3-azabicyclo[3.2.1]octane-3-carbonyl)-1-methylpyridin-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

Related Compounds

(3Z)-4-(hydroxymethyl)-3-prop-2-enylidene-1-(6,6,6-trifluoro-5-methylhexyl)piperazin-2-one
CID 122678509
1-[2-(8,8-Difluoro-3-azabicyclo[3.2.1]octan-3-yl)-2-oxoethyl]pyridin-2-one
CID 131686707
3-(8,8-Difluoro-3-azabicyclo[3.2.1]octane-3-carbonyl)-1-methylpyridin-2-one
CID 131688710

Frequently Asked Questions

What is the IUPAC name of 6-(8,8-difluoro-3-azabicyclo[3.2.1]octane-3-carbonyl)-1-methylpyridin-2-one?
The IUPAC name of 6-(8,8-difluoro-3-azabicyclo[3.2.1]octane-3-carbonyl)-1-methylpyridin-2-one (CID 131688789) is 6-(8,8-difluoro-3-azabicyclo[3.2.1]octane-3-carbonyl)-1-methylpyridin-2-one.
What is the SMILES notation for 6-(8,8-difluoro-3-azabicyclo[3.2.1]octane-3-carbonyl)-1-methylpyridin-2-one?
The canonical SMILES for 6-(8,8-difluoro-3-azabicyclo[3.2.1]octane-3-carbonyl)-1-methylpyridin-2-one is Cn1c(C(=O)N2CC3CCC(C2)C3(F)F)cccc1=O.
What is the InChIKey of 6-(8,8-difluoro-3-azabicyclo[3.2.1]octane-3-carbonyl)-1-methylpyridin-2-one?
The InChIKey is FDVCRSIMXXJRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O2/c1-17-11(3-2-4-12(17)19)13(20)18-7-9-5-6-10(8-18)14(9,15)16/h2-4,9-10H,5-8H2,1H3.
What are the key properties of 6-(8,8-difluoro-3-azabicyclo[3.2.1]octane-3-carbonyl)-1-methylpyridin-2-one?
6-(8,8-difluoro-3-azabicyclo[3.2.1]octane-3-carbonyl)-1-methylpyridin-2-one has a molecular weight of 282.29 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8,8-difluoro-3-azabicyclo[3.2.1]octane-3-carbonyl)-1-methylpyridin-2-one is sourced from PubChem (CID 131688789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).