1-fluoro-3-azabicyclo[3.2.1]octane

C7H12FN — CID 139014691

IUPAC1-fluoro-3-azabicyclo[3.2.1]octane
SMILESFC12CCC(CNC1)C2
InChIInChI=1S/C7H12FN/c8-7-2-1-6(3-7)4-9-5-7/h6,9H,1-5H2
InChIKeyGQWUSYWHNLHGFB-UHFFFAOYSA-N
MW129.18 g/mol
LogP1.10
Rot. Bonds

About 1-fluoro-3-azabicyclo[3.2.1]octane

1-fluoro-3-azabicyclo[3.2.1]octane (PubChem CID 139014691) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is 1-fluoro-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name1-fluoro-3-azabicyclo[3.2.1]octane
PubChem CID139014691
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name1-fluoro-3-azabicyclo[3.2.1]octane
SMILESFC12CCC(CNC1)C2
InChIInChI=1S/C7H12FN/c8-7-2-1-6(3-7)4-9-5-7/h6,9H,1-5H2
InChIKeyGQWUSYWHNLHGFB-UHFFFAOYSA-N
XLogP1.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-azabicyclo[3.2.1]octane?
The IUPAC name of 1-fluoro-3-azabicyclo[3.2.1]octane (CID 139014691) is 1-fluoro-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 1-fluoro-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 1-fluoro-3-azabicyclo[3.2.1]octane is FC12CCC(CNC1)C2.
What is the InChIKey of 1-fluoro-3-azabicyclo[3.2.1]octane?
The InChIKey is GQWUSYWHNLHGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN/c8-7-2-1-6(3-7)4-9-5-7/h6,9H,1-5H2.
What are the key properties of 1-fluoro-3-azabicyclo[3.2.1]octane?
1-fluoro-3-azabicyclo[3.2.1]octane has a molecular weight of 129.18 g/mol, XLogP of 1.10, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 139014691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).