tributyl(tert-butyl)phosphanium tetrafluoroborate

C16H36BF4P — CID 18769345

IUPACtributyl(tert-butyl)phosphanium tetrafluoroborate
SMILESCCCC[P+](CCCC)(CCCC)C(C)(C)C.F[B-](F)(F)F
InChIInChI=1S/C16H36P.BF4/c1-7-10-13-17(14-11-8-2,15-12-9-3)16(4,5)6;2-1(3,4)5/h7-15H2,1-6H3;/q+1;-1
InChIKeyRWOBVDLVLQZJHU-UHFFFAOYSA-N
MW346.24 g/mol
LogP7.50
Rot. Bonds9

About tributyl(tert-butyl)phosphanium tetrafluoroborate

tributyl(tert-butyl)phosphanium tetrafluoroborate (PubChem CID 18769345) has the molecular formula C16H36BF4P and a molecular weight of 346.24 g/mol. Its IUPAC name is tributyl(tert-butyl)phosphanium tetrafluoroborate.

Molecular Properties

Compound Nametributyl(tert-butyl)phosphanium tetrafluoroborate
PubChem CID18769345
Molecular FormulaC16H36BF4P
Molecular Weight346.24 g/mol
Exact Mass346.26
IUPAC Nametributyl(tert-butyl)phosphanium tetrafluoroborate
SMILESCCCC[P+](CCCC)(CCCC)C(C)(C)C.F[B-](F)(F)F
InChIInChI=1S/C16H36P.BF4/c1-7-10-13-17(14-11-8-2,15-12-9-3)16(4,5)6;2-1(3,4)5/h7-15H2,1-6H3;/q+1;-1
InChIKeyRWOBVDLVLQZJHU-UHFFFAOYSA-N
XLogP7.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.24
LogP ≤ 57.50
H-Bond Donors ≤ 50
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

azanium;tetrabutylphosphanium;tetrafluoroborate
CID 175245992
tributyl(methyltellanyl)phosphanium tetrafluoroborate
CID 14741757
2,3-dimethyloctan-2-ylazanium tetrafluoroborate
CID 87195438
2-methylhexane;1,1,1-trifluoroethane
CID 157031744
ethyl(tripentyl)phosphanium tetrafluoroborate
CID 18769296
1-aminopentyl(trifluoro)boranuide
CID 170991596
2,2-difluoroheptan-3-amine
CID 130605107
2,3-dimethylhexan-2-ylphosphanium tetrafluoroborate
CID 87195673
5-fluorononane
CID 14113820
3-ethyl-2,2-dimethylheptane
CID 20686447
tetrabutylphosphanium;tetrahexylazanium;trihexyl(tetradecyl)phosphanium;tritetrafluoroborate
CID 140553355
tritert-butyl(octyl)phosphanium
CID 87254234

Frequently Asked Questions

What is the IUPAC name of tributyl(tert-butyl)phosphanium tetrafluoroborate?
The IUPAC name of tributyl(tert-butyl)phosphanium tetrafluoroborate (CID 18769345) is tributyl(tert-butyl)phosphanium tetrafluoroborate.
What is the SMILES notation for tributyl(tert-butyl)phosphanium tetrafluoroborate?
The canonical SMILES for tributyl(tert-butyl)phosphanium tetrafluoroborate is CCCC[P+](CCCC)(CCCC)C(C)(C)C.F[B-](F)(F)F.
What is the InChIKey of tributyl(tert-butyl)phosphanium tetrafluoroborate?
The InChIKey is RWOBVDLVLQZJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36P.BF4/c1-7-10-13-17(14-11-8-2,15-12-9-3)16(4,5)6;2-1(3,4)5/h7-15H2,1-6H3;/q+1;-1.
What are the key properties of tributyl(tert-butyl)phosphanium tetrafluoroborate?
tributyl(tert-butyl)phosphanium tetrafluoroborate has a molecular weight of 346.24 g/mol, XLogP of 7.50, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(tert-butyl)phosphanium tetrafluoroborate is sourced from PubChem (CID 18769345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).