1-azoniabicyclo[2.2.2]octane fluoride

C7H14FN — CID 22906694

IUPAC1-azoniabicyclo[2.2.2]octane fluoride
SMILESC1C[NH+]2CCC1CC2.[F-]
InChIInChI=1S/C7H13N.FH/c1-4-8-5-2-7(1)3-6-8;/h7H,1-6H2;1H
InChIKeyZYOPUGBSIXKWIH-UHFFFAOYSA-N
MW131.19 g/mol
LogP-3.31
Rot. Bonds

About 1-azoniabicyclo[2.2.2]octane fluoride

1-azoniabicyclo[2.2.2]octane fluoride (PubChem CID 22906694) has the molecular formula C7H14FN and a molecular weight of 131.19 g/mol. Its IUPAC name is 1-azoniabicyclo[2.2.2]octane fluoride.

Molecular Properties

Compound Name1-azoniabicyclo[2.2.2]octane fluoride
PubChem CID22906694
Molecular FormulaC7H14FN
Molecular Weight131.19 g/mol
Exact Mass131.11
IUPAC Name1-azoniabicyclo[2.2.2]octane fluoride
SMILESC1C[NH+]2CCC1CC2.[F-]
InChIInChI=1S/C7H13N.FH/c1-4-8-5-2-7(1)3-6-8;/h7H,1-6H2;1H
InChIKeyZYOPUGBSIXKWIH-UHFFFAOYSA-N
XLogP-3.31
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.19
LogP ≤ 5-3.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-azoniabicyclo[2.2.2]octane fluoride?
The IUPAC name of 1-azoniabicyclo[2.2.2]octane fluoride (CID 22906694) is 1-azoniabicyclo[2.2.2]octane fluoride.
What is the SMILES notation for 1-azoniabicyclo[2.2.2]octane fluoride?
The canonical SMILES for 1-azoniabicyclo[2.2.2]octane fluoride is C1C[NH+]2CCC1CC2.[F-].
What is the InChIKey of 1-azoniabicyclo[2.2.2]octane fluoride?
The InChIKey is ZYOPUGBSIXKWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N.FH/c1-4-8-5-2-7(1)3-6-8;/h7H,1-6H2;1H.
What are the key properties of 1-azoniabicyclo[2.2.2]octane fluoride?
1-azoniabicyclo[2.2.2]octane fluoride has a molecular weight of 131.19 g/mol, XLogP of -3.31, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azoniabicyclo[2.2.2]octane fluoride is sourced from PubChem (CID 22906694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).