3-ethenyl-3-fluoro-8-azabicyclo[3.2.1]octane

C9H14FN — CID 112564500

IUPAC3-ethenyl-3-fluoro-8-azabicyclo[3.2.1]octane
SMILESC=CC1(F)CC2CCC(C1)N2
InChIInChI=1S/C9H14FN/c1-2-9(10)5-7-3-4-8(6-9)11-7/h2,7-8,11H,1,3-6H2
InChIKeyMBLHIXXWFQIHIY-UHFFFAOYSA-N
MW155.22 g/mol
LogP1.80
Rot. Bonds1

About 3-ethenyl-3-fluoro-8-azabicyclo[3.2.1]octane

3-ethenyl-3-fluoro-8-azabicyclo[3.2.1]octane (PubChem CID 112564500) has the molecular formula C9H14FN and a molecular weight of 155.22 g/mol. Its IUPAC name is 3-ethenyl-3-fluoro-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-ethenyl-3-fluoro-8-azabicyclo[3.2.1]octane
PubChem CID112564500
Molecular FormulaC9H14FN
Molecular Weight155.22 g/mol
Exact Mass155.11
IUPAC Name3-ethenyl-3-fluoro-8-azabicyclo[3.2.1]octane
SMILESC=CC1(F)CC2CCC(C1)N2
InChIInChI=1S/C9H14FN/c1-2-9(10)5-7-3-4-8(6-9)11-7/h2,7-8,11H,1,3-6H2
InChIKeyMBLHIXXWFQIHIY-UHFFFAOYSA-N
XLogP1.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-3-fluoro-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-ethenyl-3-fluoro-8-azabicyclo[3.2.1]octane (CID 112564500) is 3-ethenyl-3-fluoro-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-ethenyl-3-fluoro-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-ethenyl-3-fluoro-8-azabicyclo[3.2.1]octane is C=CC1(F)CC2CCC(C1)N2.
What is the InChIKey of 3-ethenyl-3-fluoro-8-azabicyclo[3.2.1]octane?
The InChIKey is MBLHIXXWFQIHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN/c1-2-9(10)5-7-3-4-8(6-9)11-7/h2,7-8,11H,1,3-6H2.
What are the key properties of 3-ethenyl-3-fluoro-8-azabicyclo[3.2.1]octane?
3-ethenyl-3-fluoro-8-azabicyclo[3.2.1]octane has a molecular weight of 155.22 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-3-fluoro-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 112564500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).