tetrabutylphosphanium;fluoride;dihydrofluoride

C16H38F3P — CID 11823303

IUPACtetrabutylphosphanium;fluoride;dihydrofluoride
SMILESCCCC[P+](CCCC)(CCCC)CCCC.F.F.[F-]
InChIInChI=1S/C16H36P.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
InChIKeyRYVCIYOIUBIQLU-UHFFFAOYSA-M
MW318.45 g/mol
LogP3.51
Rot. Bonds12

About tetrabutylphosphanium;fluoride;dihydrofluoride

tetrabutylphosphanium;fluoride;dihydrofluoride (PubChem CID 11823303) has the molecular formula C16H38F3P and a molecular weight of 318.45 g/mol. Its IUPAC name is tetrabutylphosphanium;fluoride;dihydrofluoride.

Molecular Properties

Compound Nametetrabutylphosphanium;fluoride;dihydrofluoride
PubChem CID11823303
Molecular FormulaC16H38F3P
Molecular Weight318.45 g/mol
Exact Mass318.27
IUPAC Nametetrabutylphosphanium;fluoride;dihydrofluoride
SMILESCCCC[P+](CCCC)(CCCC)CCCC.F.F.[F-]
InChIInChI=1S/C16H36P.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
InChIKeyRYVCIYOIUBIQLU-UHFFFAOYSA-M
XLogP3.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

stibane;tetrabutylphosphanium;hexahydrofluoride
CID 172998203
tetrabutylphosphanium;tin(4+)
CID 160650774
tributyl(9-tributylphosphaniumylnonyl)phosphanium
CID 59839708
tributyl(icosyl)phosphanium
CID 23086982
tributyl(tridecyl)phosphanium
CID 87194469
dibutyl(dipentyl)phosphanium iodide
CID 87778767
azane;tetrabutylphosphanium;chloride;hydrochloride
CID 174751452
butyl(triheptyl)phosphanium
CID 87777247
tributyl(pentadecyl)phosphanium bromide
CID 86639781
dibutyl(didecyl)phosphanium iodide
CID 87776919
antimony(3+);tributyl(dodecyl)phosphanium
CID 158196922
dibutyl-pentyl-propylphosphanium
CID 87507891

Frequently Asked Questions

What is the IUPAC name of tetrabutylphosphanium;fluoride;dihydrofluoride?
The IUPAC name of tetrabutylphosphanium;fluoride;dihydrofluoride (CID 11823303) is tetrabutylphosphanium;fluoride;dihydrofluoride.
What is the SMILES notation for tetrabutylphosphanium;fluoride;dihydrofluoride?
The canonical SMILES for tetrabutylphosphanium;fluoride;dihydrofluoride is CCCC[P+](CCCC)(CCCC)CCCC.F.F.[F-].
What is the InChIKey of tetrabutylphosphanium;fluoride;dihydrofluoride?
The InChIKey is RYVCIYOIUBIQLU-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H36P.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 tetrabutylphosphanium;fluoride;dihydrofluoride?
tetrabutylphosphanium;fluoride;dihydrofluoride has a molecular weight of 318.45 g/mol, XLogP of 3.51, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrabutylphosphanium;fluoride;dihydrofluoride is sourced from PubChem (CID 11823303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).