3-(cyclohexen-1-yl)-3-fluoro-8-azabicyclo[3.2.1]octane

C13H20FN — CID 106655030

IUPAC3-(cyclohexen-1-yl)-3-fluoro-8-azabicyclo[3.2.1]octane
SMILESFC1(C2=CCCCC2)CC2CCC(C1)N2
InChIInChI=1S/C13H20FN/c14-13(10-4-2-1-3-5-10)8-11-6-7-12(9-13)15-11/h4,11-12,15H,1-3,5-9H2
InChIKeyAMRSLBPEGHCGAK-UHFFFAOYSA-N
MW209.31 g/mol
LogP3.11
Rot. Bonds1

About 3-(cyclohexen-1-yl)-3-fluoro-8-azabicyclo[3.2.1]octane

3-(cyclohexen-1-yl)-3-fluoro-8-azabicyclo[3.2.1]octane (PubChem CID 106655030) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is 3-(cyclohexen-1-yl)-3-fluoro-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(cyclohexen-1-yl)-3-fluoro-8-azabicyclo[3.2.1]octane
PubChem CID106655030
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC Name3-(cyclohexen-1-yl)-3-fluoro-8-azabicyclo[3.2.1]octane
SMILESFC1(C2=CCCCC2)CC2CCC(C1)N2
InChIInChI=1S/C13H20FN/c14-13(10-4-2-1-3-5-10)8-11-6-7-12(9-13)15-11/h4,11-12,15H,1-3,5-9H2
InChIKeyAMRSLBPEGHCGAK-UHFFFAOYSA-N
XLogP3.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[(E)-2-(6-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-8-azabicyclo[3.2.1]octane
CID 70842087
4-(4-Fluorocyclohexen-1-yl)piperidine
CID 89168221
5-(2-Cyclohexylethenyl)-2-(3-fluorocycloheptyl)piperidine
CID 141828339
(2R)-2-[(4R)-4-(trifluoromethyl)cyclohepten-1-yl]pyrrolidine
CID 163485821
3-[[5-ethenyl-2-ethyl-4-(1-fluoroethenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-8-azabicyclo[3.2.1]octane
CID 164867886
3-(Cyclohexen-1-yl)-3-fluoropiperidine
CID 106655012
3-(Cycloocten-1-yl)-3-fluoropiperidine
CID 106655013
3-(Cyclohepten-1-yl)-3-fluoropiperidine
CID 106655014
4-(Cyclohexen-1-yl)-4-fluoropiperidine
CID 106655015
4-(Cycloocten-1-yl)-4-fluoropiperidine
CID 106655016
4-(Cyclohepten-1-yl)-4-fluoropiperidine
CID 106655017
4-[Cyclohexen-1-yl(fluoro)methyl]piperidine
CID 106655021

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexen-1-yl)-3-fluoro-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-(cyclohexen-1-yl)-3-fluoro-8-azabicyclo[3.2.1]octane (CID 106655030) is 3-(cyclohexen-1-yl)-3-fluoro-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(cyclohexen-1-yl)-3-fluoro-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-(cyclohexen-1-yl)-3-fluoro-8-azabicyclo[3.2.1]octane is FC1(C2=CCCCC2)CC2CCC(C1)N2.
What is the InChIKey of 3-(cyclohexen-1-yl)-3-fluoro-8-azabicyclo[3.2.1]octane?
The InChIKey is AMRSLBPEGHCGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN/c14-13(10-4-2-1-3-5-10)8-11-6-7-12(9-13)15-11/h4,11-12,15H,1-3,5-9H2.
What are the key properties of 3-(cyclohexen-1-yl)-3-fluoro-8-azabicyclo[3.2.1]octane?
3-(cyclohexen-1-yl)-3-fluoro-8-azabicyclo[3.2.1]octane has a molecular weight of 209.31 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexen-1-yl)-3-fluoro-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 106655030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).