3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane

C13H16FN — CID 22012229

IUPAC3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane
SMILESFc1ccc(C2CC3CCC(C2)N3)cc1
InChIInChI=1S/C13H16FN/c14-11-3-1-9(2-4-11)10-7-12-5-6-13(8-10)15-12/h1-4,10,12-13,15H,5-8H2
InChIKeyXNXGLTJWOZMRNZ-UHFFFAOYSA-N
MW205.28 g/mol
LogP2.82
Rot. Bonds1

About 3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane

3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane (PubChem CID 22012229) has the molecular formula C13H16FN and a molecular weight of 205.28 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane
PubChem CID22012229
Molecular FormulaC13H16FN
Molecular Weight205.28 g/mol
Exact Mass205.13
IUPAC Name3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane
SMILESFc1ccc(C2CC3CCC(C2)N3)cc1
InChIInChI=1S/C13H16FN/c14-11-3-1-9(2-4-11)10-7-12-5-6-13(8-10)15-12/h1-4,10,12-13,15H,5-8H2
InChIKeyXNXGLTJWOZMRNZ-UHFFFAOYSA-N
XLogP2.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(4-fluorophenyl)-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

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane (CID 22012229) is 3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane is Fc1ccc(C2CC3CCC(C2)N3)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane?
The InChIKey is XNXGLTJWOZMRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN/c14-11-3-1-9(2-4-11)10-7-12-5-6-13(8-10)15-12/h1-4,10,12-13,15H,5-8H2.
What are the key properties of 3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane?
3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane has a molecular weight of 205.28 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 22012229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).