4-fluoro-1-methyl-2-azabicyclo[2.1.1]hexane

C6H10FN — CID 144745432

IUPAC4-fluoro-1-methyl-2-azabicyclo[2.1.1]hexane
SMILESCC12CC(F)(CN1)C2
InChIInChI=1S/C6H10FN/c1-5-2-6(7,3-5)4-8-5/h8H,2-4H2,1H3
InChIKeyXHDXZIWEXGUMLK-UHFFFAOYSA-N
MW115.15 g/mol
LogP0.85
Rot. Bonds

About 4-fluoro-1-methyl-2-azabicyclo[2.1.1]hexane

4-fluoro-1-methyl-2-azabicyclo[2.1.1]hexane (PubChem CID 144745432) has the molecular formula C6H10FN and a molecular weight of 115.15 g/mol. Its IUPAC name is 4-fluoro-1-methyl-2-azabicyclo[2.1.1]hexane.

Molecular Properties

Compound Name4-fluoro-1-methyl-2-azabicyclo[2.1.1]hexane
PubChem CID144745432
Molecular FormulaC6H10FN
Molecular Weight115.15 g/mol
Exact Mass115.08
IUPAC Name4-fluoro-1-methyl-2-azabicyclo[2.1.1]hexane
SMILESCC12CC(F)(CN1)C2
InChIInChI=1S/C6H10FN/c1-5-2-6(7,3-5)4-8-5/h8H,2-4H2,1H3
InChIKeyXHDXZIWEXGUMLK-UHFFFAOYSA-N
XLogP0.85
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 ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-methyl-2-azabicyclo[2.1.1]hexane?
The IUPAC name of 4-fluoro-1-methyl-2-azabicyclo[2.1.1]hexane (CID 144745432) is 4-fluoro-1-methyl-2-azabicyclo[2.1.1]hexane.
What is the SMILES notation for 4-fluoro-1-methyl-2-azabicyclo[2.1.1]hexane?
The canonical SMILES for 4-fluoro-1-methyl-2-azabicyclo[2.1.1]hexane is CC12CC(F)(CN1)C2.
What is the InChIKey of 4-fluoro-1-methyl-2-azabicyclo[2.1.1]hexane?
The InChIKey is XHDXZIWEXGUMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FN/c1-5-2-6(7,3-5)4-8-5/h8H,2-4H2,1H3.
What are the key properties of 4-fluoro-1-methyl-2-azabicyclo[2.1.1]hexane?
4-fluoro-1-methyl-2-azabicyclo[2.1.1]hexane has a molecular weight of 115.15 g/mol, XLogP of 0.85, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methyl-2-azabicyclo[2.1.1]hexane is sourced from PubChem (CID 144745432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).