3-(2,6-difluorophenyl)-3-fluoro-8-azabicyclo[3.2.1]octane

C13H14F3N — CID 112564653

IUPAC3-(2,6-difluorophenyl)-3-fluoro-8-azabicyclo[3.2.1]octane
SMILESFc1cccc(F)c1C1(F)CC2CCC(C1)N2
InChIInChI=1S/C13H14F3N/c14-10-2-1-3-11(15)12(10)13(16)6-8-4-5-9(7-13)17-8/h1-3,8-9,17H,4-7H2
InChIKeyAJXULPXTFVOWTR-UHFFFAOYSA-N
MW241.26 g/mol
LogP3.04
Rot. Bonds1

About 3-(2,6-difluorophenyl)-3-fluoro-8-azabicyclo[3.2.1]octane

3-(2,6-difluorophenyl)-3-fluoro-8-azabicyclo[3.2.1]octane (PubChem CID 112564653) has the molecular formula C13H14F3N and a molecular weight of 241.26 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)-3-fluoro-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(2,6-difluorophenyl)-3-fluoro-8-azabicyclo[3.2.1]octane
PubChem CID112564653
Molecular FormulaC13H14F3N
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Name3-(2,6-difluorophenyl)-3-fluoro-8-azabicyclo[3.2.1]octane
SMILESFc1cccc(F)c1C1(F)CC2CCC(C1)N2
InChIInChI=1S/C13H14F3N/c14-10-2-1-3-11(15)12(10)13(16)6-8-4-5-9(7-13)17-8/h1-3,8-9,17H,4-7H2
InChIKeyAJXULPXTFVOWTR-UHFFFAOYSA-N
XLogP3.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(2,6-difluorophenyl)-3-fluoro-8-azabicyclo[3.2.1]octane 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

3-[(2-chloro-6-fluorophenyl)methyl]-3-fluoro-8-azabicyclo[3.2.1]octane
CID 112564497
3-(2,3,6-trifluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171962539
3-fluoro-3-(5-fluoro-2-methylphenyl)-8-azabicyclo[3.2.1]octane
CID 112564470
5-(3-fluoro-8-azabicyclo[3.2.1]octan-3-yl)quinoline
CID 112564674
3-(3,4-dimethylphenyl)-3-fluoro-8-azabicyclo[3.2.1]octane
CID 112564717
3-fluoro-3-methyl-8-azabicyclo[3.2.1]octane;hydrochloride
CID 68756269
3-fluoro-3-(2-methoxy-4,6-dimethylphenyl)-8-azabicyclo[3.2.1]octane
CID 106681655
3-fluoro-3-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octane
CID 112564732
(1S,5R)-3-[(2-fluorophenyl)methoxy]-3-(methoxymethyl)-8-azabicyclo[3.2.1]octane;hydrochloride
CID 68676038
N-(2-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 105476083
3-fluoro-3-(pyridin-4-ylmethyl)-8-azabicyclo[3.2.1]octane
CID 112564682
3-[(2-fluorophenyl)methylidene]-8-azabicyclo[3.2.1]octane;hydrochloride
CID 126844749

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)-3-fluoro-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-(2,6-difluorophenyl)-3-fluoro-8-azabicyclo[3.2.1]octane (CID 112564653) is 3-(2,6-difluorophenyl)-3-fluoro-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(2,6-difluorophenyl)-3-fluoro-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-(2,6-difluorophenyl)-3-fluoro-8-azabicyclo[3.2.1]octane is Fc1cccc(F)c1C1(F)CC2CCC(C1)N2.
What is the InChIKey of 3-(2,6-difluorophenyl)-3-fluoro-8-azabicyclo[3.2.1]octane?
The InChIKey is AJXULPXTFVOWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N/c14-10-2-1-3-11(15)12(10)13(16)6-8-4-5-9(7-13)17-8/h1-3,8-9,17H,4-7H2.
What are the key properties of 3-(2,6-difluorophenyl)-3-fluoro-8-azabicyclo[3.2.1]octane?
3-(2,6-difluorophenyl)-3-fluoro-8-azabicyclo[3.2.1]octane has a molecular weight of 241.26 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenyl)-3-fluoro-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 112564653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).