9-fluoro-9-azabicyclo[3.3.1]nonane

C8H14FN — CID 134995913

IUPAC9-fluoro-9-azabicyclo[3.3.1]nonane
SMILESFN1C2CCCC1CCC2
InChIInChI=1S/C8H14FN/c9-10-7-3-1-4-8(10)6-2-5-7/h7-8H,1-6H2
InChIKeyLVGOZNKOOLITCM-UHFFFAOYSA-N
MW143.21 g/mol
LogP2.28
Rot. Bonds

About 9-fluoro-9-azabicyclo[3.3.1]nonane

9-fluoro-9-azabicyclo[3.3.1]nonane (PubChem CID 134995913) has the molecular formula C8H14FN and a molecular weight of 143.21 g/mol. Its IUPAC name is 9-fluoro-9-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name9-fluoro-9-azabicyclo[3.3.1]nonane
PubChem CID134995913
Molecular FormulaC8H14FN
Molecular Weight143.21 g/mol
Exact Mass143.11
IUPAC Name9-fluoro-9-azabicyclo[3.3.1]nonane
SMILESFN1C2CCCC1CCC2
InChIInChI=1S/C8H14FN/c9-10-7-3-1-4-8(10)6-2-5-7/h7-8H,1-6H2
InChIKeyLVGOZNKOOLITCM-UHFFFAOYSA-N
XLogP2.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-fluoro-9-azabicyclo[3.3.1]nonane?
The IUPAC name of 9-fluoro-9-azabicyclo[3.3.1]nonane (CID 134995913) is 9-fluoro-9-azabicyclo[3.3.1]nonane.
What is the SMILES notation for 9-fluoro-9-azabicyclo[3.3.1]nonane?
The canonical SMILES for 9-fluoro-9-azabicyclo[3.3.1]nonane is FN1C2CCCC1CCC2.
What is the InChIKey of 9-fluoro-9-azabicyclo[3.3.1]nonane?
The InChIKey is LVGOZNKOOLITCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN/c9-10-7-3-1-4-8(10)6-2-5-7/h7-8H,1-6H2.
What are the key properties of 9-fluoro-9-azabicyclo[3.3.1]nonane?
9-fluoro-9-azabicyclo[3.3.1]nonane has a molecular weight of 143.21 g/mol, XLogP of 2.28, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-9-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 134995913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).