tetrabutylazanium fluoride

C16H36FN — CID 2724141

IUPACtetrabutylazanium fluoride
SMILESCCCC[N+](CCCC)(CCCC)CCCC.[F-]
InChIInChI=1S/C16H36N.FH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1
InChIKeyFPGGTKZVZWFYPV-UHFFFAOYSA-M
MW261.47 g/mol
LogP2.01
Rot. Bonds12

About tetrabutylazanium fluoride

tetrabutylazanium fluoride (PubChem CID 2724141) has the molecular formula C16H36FN and a molecular weight of 261.47 g/mol. Its IUPAC name is tetrabutylazanium fluoride.

Molecular Properties

Compound Nametetrabutylazanium fluoride
PubChem CID2724141
Molecular FormulaC16H36FN
Molecular Weight261.47 g/mol
Exact Mass261.28
IUPAC Nametetrabutylazanium fluoride
SMILESCCCC[N+](CCCC)(CCCC)CCCC.[F-]
InChIInChI=1S/C16H36N.FH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1
InChIKeyFPGGTKZVZWFYPV-UHFFFAOYSA-M
XLogP2.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.47
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tetrabutylazanium fluoride?
The IUPAC name of tetrabutylazanium fluoride (CID 2724141) is tetrabutylazanium fluoride.
What is the SMILES notation for tetrabutylazanium fluoride?
The canonical SMILES for tetrabutylazanium fluoride is CCCC[N+](CCCC)(CCCC)CCCC.[F-].
What is the InChIKey of tetrabutylazanium fluoride?
The InChIKey is FPGGTKZVZWFYPV-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H36N.FH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1.
What are the key properties of tetrabutylazanium fluoride?
tetrabutylazanium fluoride has a molecular weight of 261.47 g/mol, XLogP of 2.01, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrabutylazanium fluoride is sourced from PubChem (CID 2724141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).