azanium;tetrabutylphosphanium;tetrafluoroborate

C16H40BF4NP+ — CID 175245992

IUPACazanium;tetrabutylphosphanium;tetrafluoroborate
SMILESCCCC[P+](CCCC)(CCCC)CCCC.F[B-](F)(F)F.[NH4+]
InChIInChI=1S/C16H36P.BF4.H3N/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2-1(3,4)5;/h5-16H2,1-4H3;;1H3/q+1;-1;/p+1
InChIKeyFTWILDAZKYMUKX-UHFFFAOYSA-O
MW364.28 g/mol
LogP7.88
Rot. Bonds12

About azanium;tetrabutylphosphanium;tetrafluoroborate

azanium;tetrabutylphosphanium;tetrafluoroborate (PubChem CID 175245992) has the molecular formula C16H40BF4NP+ and a molecular weight of 364.28 g/mol. Its IUPAC name is azanium;tetrabutylphosphanium;tetrafluoroborate.

Molecular Properties

Compound Nameazanium;tetrabutylphosphanium;tetrafluoroborate
PubChem CID175245992
Molecular FormulaC16H40BF4NP+
Molecular Weight364.28 g/mol
Exact Mass364.29
IUPAC Nameazanium;tetrabutylphosphanium;tetrafluoroborate
SMILESCCCC[P+](CCCC)(CCCC)CCCC.F[B-](F)(F)F.[NH4+]
InChIInChI=1S/C16H36P.BF4.H3N/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2-1(3,4)5;/h5-16H2,1-4H3;;1H3/q+1;-1;/p+1
InChIKeyFTWILDAZKYMUKX-UHFFFAOYSA-O
XLogP7.88
TPSA36.50 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.28
LogP ≤ 57.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

tetrabutylphosphanium;tin(4+)
CID 160650774
tetrabutylphosphanium;tetrahexylazanium;trihexyl(tetradecyl)phosphanium;tritetrafluoroborate
CID 140553355
ethyl(tripentyl)phosphanium tetrafluoroborate
CID 18769296
tributyl(9-tributylphosphaniumylnonyl)phosphanium
CID 59839708
stibane;tetrabutylphosphanium;hexahydrofluoride
CID 172998203
tetrabutylphosphanium;fluoride;dihydrofluoride
CID 11823303
tributyl(icosyl)phosphanium
CID 23086982
tributyl(tridecyl)phosphanium
CID 87194469
azane;tetrabutylphosphanium;chloride;hydrochloride
CID 174751452
dibutyl(dipentyl)phosphanium iodide
CID 87778767
butyl(triheptyl)phosphanium
CID 87777247
azane;tributyl(hexadecyl)phosphanium
CID 172712894

Frequently Asked Questions

What is the IUPAC name of azanium;tetrabutylphosphanium;tetrafluoroborate?
The IUPAC name of azanium;tetrabutylphosphanium;tetrafluoroborate (CID 175245992) is azanium;tetrabutylphosphanium;tetrafluoroborate.
What is the SMILES notation for azanium;tetrabutylphosphanium;tetrafluoroborate?
The canonical SMILES for azanium;tetrabutylphosphanium;tetrafluoroborate is CCCC[P+](CCCC)(CCCC)CCCC.F[B-](F)(F)F.[NH4+].
What is the InChIKey of azanium;tetrabutylphosphanium;tetrafluoroborate?
The InChIKey is FTWILDAZKYMUKX-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H36P.BF4.H3N/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2-1(3,4)5;/h5-16H2,1-4H3;;1H3/q+1;-1;/p+1.
What are the key properties of azanium;tetrabutylphosphanium;tetrafluoroborate?
azanium;tetrabutylphosphanium;tetrafluoroborate has a molecular weight of 364.28 g/mol, XLogP of 7.88, 12 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;tetrabutylphosphanium;tetrafluoroborate is sourced from PubChem (CID 175245992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).