trifluoroborane;trihexyl(tetradecyl)phosphanium;fluoride

C32H68BF4P — CID 162025960

IUPACtrifluoroborane;trihexyl(tetradecyl)phosphanium;fluoride
SMILESCCCCCCCCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCC.FB(F)F.[F-]
InChIInChI=1S/C32H68P.BF3.FH/c1-5-9-13-17-18-19-20-21-22-23-24-28-32-33(29-25-14-10-6-2,30-26-15-11-7-3)31-27-16-12-8-4;2-1(3)4;/h5-32H2,1-4H3;;1H/q+1;;/p-1
InChIKeyYVJJYBONMMTFMH-UHFFFAOYSA-M
MW570.67 g/mol
LogP10.33
Rot. Bonds28

About trifluoroborane;trihexyl(tetradecyl)phosphanium;fluoride

trifluoroborane;trihexyl(tetradecyl)phosphanium;fluoride (PubChem CID 162025960) has the molecular formula C32H68BF4P and a molecular weight of 570.67 g/mol. Its IUPAC name is trifluoroborane;trihexyl(tetradecyl)phosphanium;fluoride.

Molecular Properties

Compound Nametrifluoroborane;trihexyl(tetradecyl)phosphanium;fluoride
PubChem CID162025960
Molecular FormulaC32H68BF4P
Molecular Weight570.67 g/mol
Exact Mass570.51
IUPAC Nametrifluoroborane;trihexyl(tetradecyl)phosphanium;fluoride
SMILESCCCCCCCCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCC.FB(F)F.[F-]
InChIInChI=1S/C32H68P.BF3.FH/c1-5-9-13-17-18-19-20-21-22-23-24-28-32-33(29-25-14-10-6-2,30-26-15-11-7-3)31-27-16-12-8-4;2-1(3)4;/h5-32H2,1-4H3;;1H/q+1;;/p-1
InChIKeyYVJJYBONMMTFMH-UHFFFAOYSA-M
XLogP10.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds28
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.67
LogP ≤ 510.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

tri(heptadecyl)-pentadecylphosphanium
CID 87810198
heptyl-tri(undecyl)phosphanium
CID 87895668
tri(nonadecyl)-undecylphosphanium
CID 87808807
heptyl-tri(tetradecyl)phosphanium
CID 87807444
tri(nonyl)-octylphosphanium
CID 87811687
dodecyl-tri(tetradecyl)phosphanium
CID 87807387
dihexyl(dioctyl)phosphanium
CID 87323731
trihexyl-[12-[hexyl(dioctyl)phosphaniumyl]dodecyl]phosphanium
CID 158334391
tridodecyl(heptyl)phosphanium
CID 87810947
trioctyl(undecyl)phosphanium
CID 87776674
tripentyl(tridecyl)phosphanium
CID 87194414
nonyl-tri(pentadecyl)phosphanium
CID 87807671

Frequently Asked Questions

What is the IUPAC name of trifluoroborane;trihexyl(tetradecyl)phosphanium;fluoride?
The IUPAC name of trifluoroborane;trihexyl(tetradecyl)phosphanium;fluoride (CID 162025960) is trifluoroborane;trihexyl(tetradecyl)phosphanium;fluoride.
What is the SMILES notation for trifluoroborane;trihexyl(tetradecyl)phosphanium;fluoride?
The canonical SMILES for trifluoroborane;trihexyl(tetradecyl)phosphanium;fluoride is CCCCCCCCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCC.FB(F)F.[F-].
What is the InChIKey of trifluoroborane;trihexyl(tetradecyl)phosphanium;fluoride?
The InChIKey is YVJJYBONMMTFMH-UHFFFAOYSA-M. The full InChI is InChI=1S/C32H68P.BF3.FH/c1-5-9-13-17-18-19-20-21-22-23-24-28-32-33(29-25-14-10-6-2,30-26-15-11-7-3)31-27-16-12-8-4;2-1(3)4;/h5-32H2,1-4H3;;1H/q+1;;/p-1.
What are the key properties of trifluoroborane;trihexyl(tetradecyl)phosphanium;fluoride?
trifluoroborane;trihexyl(tetradecyl)phosphanium;fluoride has a molecular weight of 570.67 g/mol, XLogP of 10.33, 28 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoroborane;trihexyl(tetradecyl)phosphanium;fluoride is sourced from PubChem (CID 162025960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).