fluoro(triphenyl)silane;tetrabutylazanium;fluoride

C34H51F2NSi — CID 11027938

IUPACfluoro(triphenyl)silane;tetrabutylazanium;fluoride
SMILESCCCC[N+](CCCC)(CCCC)CCCC.F[Si](c1ccccc1)(c1ccccc1)c1ccccc1.[F-]
InChIInChI=1S/C18H15FSi.C16H36N.FH/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h1-15H;5-16H2,1-4H3;1H/q;+1;/p-1
InChIKeyOLDCLLZUZBVXOM-UHFFFAOYSA-M
MW539.87 g/mol
LogP4.63
Rot. Bonds15

About fluoro(triphenyl)silane;tetrabutylazanium;fluoride

fluoro(triphenyl)silane;tetrabutylazanium;fluoride (PubChem CID 11027938) has the molecular formula C34H51F2NSi and a molecular weight of 539.87 g/mol. Its IUPAC name is fluoro(triphenyl)silane;tetrabutylazanium;fluoride.

Molecular Properties

Compound Namefluoro(triphenyl)silane;tetrabutylazanium;fluoride
PubChem CID11027938
Molecular FormulaC34H51F2NSi
Molecular Weight539.87 g/mol
Exact Mass539.38
IUPAC Namefluoro(triphenyl)silane;tetrabutylazanium;fluoride
SMILESCCCC[N+](CCCC)(CCCC)CCCC.F[Si](c1ccccc1)(c1ccccc1)c1ccccc1.[F-]
InChIInChI=1S/C18H15FSi.C16H36N.FH/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h1-15H;5-16H2,1-4H3;1H/q;+1;/p-1
InChIKeyOLDCLLZUZBVXOM-UHFFFAOYSA-M
XLogP4.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.87
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of fluoro(triphenyl)silane;tetrabutylazanium;fluoride?
The IUPAC name of fluoro(triphenyl)silane;tetrabutylazanium;fluoride (CID 11027938) is fluoro(triphenyl)silane;tetrabutylazanium;fluoride.
What is the SMILES notation for fluoro(triphenyl)silane;tetrabutylazanium;fluoride?
The canonical SMILES for fluoro(triphenyl)silane;tetrabutylazanium;fluoride is CCCC[N+](CCCC)(CCCC)CCCC.F[Si](c1ccccc1)(c1ccccc1)c1ccccc1.[F-].
What is the InChIKey of fluoro(triphenyl)silane;tetrabutylazanium;fluoride?
The InChIKey is OLDCLLZUZBVXOM-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H15FSi.C16H36N.FH/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h1-15H;5-16H2,1-4H3;1H/q;+1;/p-1.
What are the key properties of fluoro(triphenyl)silane;tetrabutylazanium;fluoride?
fluoro(triphenyl)silane;tetrabutylazanium;fluoride has a molecular weight of 539.87 g/mol, XLogP of 4.63, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro(triphenyl)silane;tetrabutylazanium;fluoride is sourced from PubChem (CID 11027938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).