4-fluoro-2-azabicyclo[2.1.1]hexane

C5H8FN — CID 138991282

IUPAC4-fluoro-2-azabicyclo[2.1.1]hexane
SMILESFC12CNC(C1)C2
InChIInChI=1S/C5H8FN/c6-5-1-4(2-5)7-3-5/h4,7H,1-3H2
InChIKeyXDCLELBDNAPMJH-UHFFFAOYSA-N
MW101.12 g/mol
LogP0.46
Rot. Bonds

About 4-fluoro-2-azabicyclo[2.1.1]hexane

4-fluoro-2-azabicyclo[2.1.1]hexane (PubChem CID 138991282) has the molecular formula C5H8FN and a molecular weight of 101.12 g/mol. Its IUPAC name is 4-fluoro-2-azabicyclo[2.1.1]hexane.

Molecular Properties

Compound Name4-fluoro-2-azabicyclo[2.1.1]hexane
PubChem CID138991282
Molecular FormulaC5H8FN
Molecular Weight101.12 g/mol
Exact Mass101.06
IUPAC Name4-fluoro-2-azabicyclo[2.1.1]hexane
SMILESFC12CNC(C1)C2
InChIInChI=1S/C5H8FN/c6-5-1-4(2-5)7-3-5/h4,7H,1-3H2
InChIKeyXDCLELBDNAPMJH-UHFFFAOYSA-N
XLogP0.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.12
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-azabicyclo[2.1.1]hexane?
The IUPAC name of 4-fluoro-2-azabicyclo[2.1.1]hexane (CID 138991282) is 4-fluoro-2-azabicyclo[2.1.1]hexane.
What is the SMILES notation for 4-fluoro-2-azabicyclo[2.1.1]hexane?
The canonical SMILES for 4-fluoro-2-azabicyclo[2.1.1]hexane is FC12CNC(C1)C2.
What is the InChIKey of 4-fluoro-2-azabicyclo[2.1.1]hexane?
The InChIKey is XDCLELBDNAPMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FN/c6-5-1-4(2-5)7-3-5/h4,7H,1-3H2.
What are the key properties of 4-fluoro-2-azabicyclo[2.1.1]hexane?
4-fluoro-2-azabicyclo[2.1.1]hexane has a molecular weight of 101.12 g/mol, XLogP of 0.46, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-azabicyclo[2.1.1]hexane is sourced from PubChem (CID 138991282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).