tetrabutylphosphanium;fluoride;hydrofluoride

C16H37F2P — CID 11001016

IUPACtetrabutylphosphanium;fluoride;hydrofluoride
SMILESCCCC[P+](CCCC)(CCCC)CCCC.F.[F-]
InChIInChI=1S/C16H36P.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
InChIKeyHJBZFPLBRXFZNE-UHFFFAOYSA-M
MW298.44 g/mol
LogP3.36
Rot. Bonds12

About tetrabutylphosphanium;fluoride;hydrofluoride

tetrabutylphosphanium;fluoride;hydrofluoride (PubChem CID 11001016) has the molecular formula C16H37F2P and a molecular weight of 298.44 g/mol. Its IUPAC name is tetrabutylphosphanium;fluoride;hydrofluoride.

Molecular Properties

Compound Nametetrabutylphosphanium;fluoride;hydrofluoride
PubChem CID11001016
Molecular FormulaC16H37F2P
Molecular Weight298.44 g/mol
Exact Mass298.26
IUPAC Nametetrabutylphosphanium;fluoride;hydrofluoride
SMILESCCCC[P+](CCCC)(CCCC)CCCC.F.[F-]
InChIInChI=1S/C16H36P.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
InChIKeyHJBZFPLBRXFZNE-UHFFFAOYSA-M
XLogP3.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.44
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tetrabutylphosphanium;fluoride;hydrofluoride?
The IUPAC name of tetrabutylphosphanium;fluoride;hydrofluoride (CID 11001016) is tetrabutylphosphanium;fluoride;hydrofluoride.
What is the SMILES notation for tetrabutylphosphanium;fluoride;hydrofluoride?
The canonical SMILES for tetrabutylphosphanium;fluoride;hydrofluoride is CCCC[P+](CCCC)(CCCC)CCCC.F.[F-].
What is the InChIKey of tetrabutylphosphanium;fluoride;hydrofluoride?
The InChIKey is HJBZFPLBRXFZNE-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H36P.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 tetrabutylphosphanium;fluoride;hydrofluoride?
tetrabutylphosphanium;fluoride;hydrofluoride has a molecular weight of 298.44 g/mol, XLogP of 3.36, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrabutylphosphanium;fluoride;hydrofluoride is sourced from PubChem (CID 11001016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).