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

C6H10FNO — CID 178126937

IUPAC3-fluoro-8-oxa-3-azabicyclo[3.2.1]octane
SMILESFN1CC2CCC(C1)O2
InChIInChI=1S/C6H10FNO/c7-8-3-5-1-2-6(4-8)9-5/h5-6H,1-4H2
InChIKeyFGDIDPGFKKXYIV-UHFFFAOYSA-N
MW131.15 g/mol
LogP0.73
Rot. Bonds

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

3-fluoro-8-oxa-3-azabicyclo[3.2.1]octane (PubChem CID 178126937) has the molecular formula C6H10FNO and a molecular weight of 131.15 g/mol. Its IUPAC name is 3-fluoro-8-oxa-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-fluoro-8-oxa-3-azabicyclo[3.2.1]octane
PubChem CID178126937
Molecular FormulaC6H10FNO
Molecular Weight131.15 g/mol
Exact Mass131.07
IUPAC Name3-fluoro-8-oxa-3-azabicyclo[3.2.1]octane
SMILESFN1CC2CCC(C1)O2
InChIInChI=1S/C6H10FNO/c7-8-3-5-1-2-6(4-8)9-5/h5-6H,1-4H2
InChIKeyFGDIDPGFKKXYIV-UHFFFAOYSA-N
XLogP0.73
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.15
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-fluoro-8-oxa-3-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-fluoro-8-oxa-3-azabicyclo[3.2.1]octane?
The IUPAC name of 3-fluoro-8-oxa-3-azabicyclo[3.2.1]octane (CID 178126937) is 3-fluoro-8-oxa-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-fluoro-8-oxa-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-fluoro-8-oxa-3-azabicyclo[3.2.1]octane is FN1CC2CCC(C1)O2.
What is the InChIKey of 3-fluoro-8-oxa-3-azabicyclo[3.2.1]octane?
The InChIKey is FGDIDPGFKKXYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO/c7-8-3-5-1-2-6(4-8)9-5/h5-6H,1-4H2.
What are the key properties of 3-fluoro-8-oxa-3-azabicyclo[3.2.1]octane?
3-fluoro-8-oxa-3-azabicyclo[3.2.1]octane has a molecular weight of 131.15 g/mol, XLogP of 0.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-8-oxa-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 178126937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).