tetrabutylazanium;fluoride;hydrofluoride

C16H37F2N — CID 10891295

IUPACtetrabutylazanium;fluoride;hydrofluoride
SMILESCCCC[N+](CCCC)(CCCC)CCCC.F.[F-]
InChIInChI=1S/C16H36N.2FH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;/h5-16H2,1-4H3;2*1H/q+1;;/p-1
InChIKeyZHBDKVWQJKYIFF-UHFFFAOYSA-M
MW281.47 g/mol
LogP2.16
Rot. Bonds12

About tetrabutylazanium;fluoride;hydrofluoride

tetrabutylazanium;fluoride;hydrofluoride (PubChem CID 10891295) has the molecular formula C16H37F2N and a molecular weight of 281.47 g/mol. Its IUPAC name is tetrabutylazanium;fluoride;hydrofluoride.

Molecular Properties

Compound Nametetrabutylazanium;fluoride;hydrofluoride
PubChem CID10891295
Molecular FormulaC16H37F2N
Molecular Weight281.47 g/mol
Exact Mass281.29
IUPAC Nametetrabutylazanium;fluoride;hydrofluoride
SMILESCCCC[N+](CCCC)(CCCC)CCCC.F.[F-]
InChIInChI=1S/C16H36N.2FH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;/h5-16H2,1-4H3;2*1H/q+1;;/p-1
InChIKeyZHBDKVWQJKYIFF-UHFFFAOYSA-M
XLogP2.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 52.16
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;hydrofluoride?
The IUPAC name of tetrabutylazanium;fluoride;hydrofluoride (CID 10891295) is tetrabutylazanium;fluoride;hydrofluoride.
What is the SMILES notation for tetrabutylazanium;fluoride;hydrofluoride?
The canonical SMILES for tetrabutylazanium;fluoride;hydrofluoride is CCCC[N+](CCCC)(CCCC)CCCC.F.[F-].
What is the InChIKey of tetrabutylazanium;fluoride;hydrofluoride?
The InChIKey is ZHBDKVWQJKYIFF-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H36N.2FH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;/h5-16H2,1-4H3;2*1H/q+1;;/p-1.
What are the key properties of tetrabutylazanium;fluoride;hydrofluoride?
tetrabutylazanium;fluoride;hydrofluoride has a molecular weight of 281.47 g/mol, XLogP of 2.16, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrabutylazanium;fluoride;hydrofluoride is sourced from PubChem (CID 10891295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).