tetrabutylazanium;fluoride;dihydrofluoride

C16H38F3N — CID 11748636

IUPACtetrabutylazanium;fluoride;dihydrofluoride
SMILESCCCC[N+](CCCC)(CCCC)CCCC.F.F.[F-]
InChIInChI=1S/C16H36N.3FH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;;/h5-16H2,1-4H3;3*1H/q+1;;;/p-1
InChIKeyMRXQMNWIADOAJY-UHFFFAOYSA-M
MW301.48 g/mol
LogP2.31
Rot. Bonds12

About tetrabutylazanium;fluoride;dihydrofluoride

tetrabutylazanium;fluoride;dihydrofluoride (PubChem CID 11748636) has the molecular formula C16H38F3N and a molecular weight of 301.48 g/mol. Its IUPAC name is tetrabutylazanium;fluoride;dihydrofluoride.

Molecular Properties

Compound Nametetrabutylazanium;fluoride;dihydrofluoride
PubChem CID11748636
Molecular FormulaC16H38F3N
Molecular Weight301.48 g/mol
Exact Mass301.30
IUPAC Nametetrabutylazanium;fluoride;dihydrofluoride
SMILESCCCC[N+](CCCC)(CCCC)CCCC.F.F.[F-]
InChIInChI=1S/C16H36N.3FH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;;/h5-16H2,1-4H3;3*1H/q+1;;;/p-1
InChIKeyMRXQMNWIADOAJY-UHFFFAOYSA-M
XLogP2.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.48
LogP ≤ 52.31
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;dihydrofluoride?
The IUPAC name of tetrabutylazanium;fluoride;dihydrofluoride (CID 11748636) is tetrabutylazanium;fluoride;dihydrofluoride.
What is the SMILES notation for tetrabutylazanium;fluoride;dihydrofluoride?
The canonical SMILES for tetrabutylazanium;fluoride;dihydrofluoride is CCCC[N+](CCCC)(CCCC)CCCC.F.F.[F-].
What is the InChIKey of tetrabutylazanium;fluoride;dihydrofluoride?
The InChIKey is MRXQMNWIADOAJY-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H36N.3FH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;;/h5-16H2,1-4H3;3*1H/q+1;;;/p-1.
What are the key properties of tetrabutylazanium;fluoride;dihydrofluoride?
tetrabutylazanium;fluoride;dihydrofluoride has a molecular weight of 301.48 g/mol, XLogP of 2.31, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrabutylazanium;fluoride;dihydrofluoride is sourced from PubChem (CID 11748636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).