5-fluoro-2-azabicyclo[2.2.1]heptane

C6H10FN — CID 71306277

IUPAC5-fluoro-2-azabicyclo[2.2.1]heptane
SMILESFC1CC2CC1CN2
InChIInChI=1S/C6H10FN/c7-6-2-5-1-4(6)3-8-5/h4-6,8H,1-3H2
InChIKeyOAJNJXJCKQKODM-UHFFFAOYSA-N
MW115.15 g/mol
LogP0.71
Rot. Bonds

About 5-fluoro-2-azabicyclo[2.2.1]heptane

5-fluoro-2-azabicyclo[2.2.1]heptane (PubChem CID 71306277) has the molecular formula C6H10FN and a molecular weight of 115.15 g/mol. Its IUPAC name is 5-fluoro-2-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name5-fluoro-2-azabicyclo[2.2.1]heptane
PubChem CID71306277
Molecular FormulaC6H10FN
Molecular Weight115.15 g/mol
Exact Mass115.08
IUPAC Name5-fluoro-2-azabicyclo[2.2.1]heptane
SMILESFC1CC2CC1CN2
InChIInChI=1S/C6H10FN/c7-6-2-5-1-4(6)3-8-5/h4-6,8H,1-3H2
InChIKeyOAJNJXJCKQKODM-UHFFFAOYSA-N
XLogP0.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.15
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-azabicyclo[2.2.1]heptane?
The IUPAC name of 5-fluoro-2-azabicyclo[2.2.1]heptane (CID 71306277) is 5-fluoro-2-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 5-fluoro-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for 5-fluoro-2-azabicyclo[2.2.1]heptane is FC1CC2CC1CN2.
What is the InChIKey of 5-fluoro-2-azabicyclo[2.2.1]heptane?
The InChIKey is OAJNJXJCKQKODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FN/c7-6-2-5-1-4(6)3-8-5/h4-6,8H,1-3H2.
What are the key properties of 5-fluoro-2-azabicyclo[2.2.1]heptane?
5-fluoro-2-azabicyclo[2.2.1]heptane has a molecular weight of 115.15 g/mol, XLogP of 0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 71306277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).