tributyl(fluoro)boranuide

C12H27BF- — CID 22419341

IUPACtributyl(fluoro)boranuide
SMILESCCCC[B-](F)(CCCC)CCCC
InChIInChI=1S/C12H27BF/c1-4-7-10-13(14,11-8-5-2)12-9-6-3/h4-12H2,1-3H3/q-1
InChIKeyOCQJXCZIJWHDLT-UHFFFAOYSA-N
MW201.16 g/mol
LogP5.30
Rot. Bonds9

About tributyl(fluoro)boranuide

tributyl(fluoro)boranuide (PubChem CID 22419341) has the molecular formula C12H27BF- and a molecular weight of 201.16 g/mol. Its IUPAC name is tributyl(fluoro)boranuide.

Molecular Properties

Compound Nametributyl(fluoro)boranuide
PubChem CID22419341
Molecular FormulaC12H27BF-
Molecular Weight201.16 g/mol
Exact Mass201.22
IUPAC Nametributyl(fluoro)boranuide
SMILESCCCC[B-](F)(CCCC)CCCC
InChIInChI=1S/C12H27BF/c1-4-7-10-13(14,11-8-5-2)12-9-6-3/h4-12H2,1-3H3/q-1
InChIKeyOCQJXCZIJWHDLT-UHFFFAOYSA-N
XLogP5.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500201.16
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

potassium trifluoro(octyl)boranuide
CID 23669709
1-tridecylpiperidine tetrafluoroborate
CID 174702126
dodecylazanium tetrafluoroborate
CID 141181929
azanium;tetrabutylphosphanium;tetrafluoroborate
CID 175245992
methane;tetrabutylazanium;tritetrafluoroborate
CID 173499905
acetonitrile;nonane;tetrafluoroborate
CID 175569585
hexane;hydron
CID 174049109
decane;heptane
CID 159049036
hexadecakis(pentane);dihydrate
CID 173099119
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
dohexacontane
CID 522644

Frequently Asked Questions

What is the IUPAC name of tributyl(fluoro)boranuide?
The IUPAC name of tributyl(fluoro)boranuide (CID 22419341) is tributyl(fluoro)boranuide.
What is the SMILES notation for tributyl(fluoro)boranuide?
The canonical SMILES for tributyl(fluoro)boranuide is CCCC[B-](F)(CCCC)CCCC.
What is the InChIKey of tributyl(fluoro)boranuide?
The InChIKey is OCQJXCZIJWHDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27BF/c1-4-7-10-13(14,11-8-5-2)12-9-6-3/h4-12H2,1-3H3/q-1.
What are the key properties of tributyl(fluoro)boranuide?
tributyl(fluoro)boranuide has a molecular weight of 201.16 g/mol, XLogP of 5.30, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(fluoro)boranuide is sourced from PubChem (CID 22419341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).