difluoro(phenyl)borane;tetrabutylazanium;fluoride

C22H41BF3N — CID 166604409

IUPACdifluoro(phenyl)borane;tetrabutylazanium;fluoride
SMILESCCCC[N+](CCCC)(CCCC)CCCC.FB(F)c1ccccc1.[F-]
InChIInChI=1S/C16H36N.C6H5BF2.FH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;8-7(9)6-4-2-1-3-5-6;/h5-16H2,1-4H3;1-5H;1H/q+1;;/p-1
InChIKeyIWTNFEUYZVMFQJ-UHFFFAOYSA-M
MW387.38 g/mol
LogP3.33
Rot. Bonds13

About difluoro(phenyl)borane;tetrabutylazanium;fluoride

difluoro(phenyl)borane;tetrabutylazanium;fluoride (PubChem CID 166604409) has the molecular formula C22H41BF3N and a molecular weight of 387.38 g/mol. Its IUPAC name is difluoro(phenyl)borane;tetrabutylazanium;fluoride.

Molecular Properties

Compound Namedifluoro(phenyl)borane;tetrabutylazanium;fluoride
PubChem CID166604409
Molecular FormulaC22H41BF3N
Molecular Weight387.38 g/mol
Exact Mass387.33
IUPAC Namedifluoro(phenyl)borane;tetrabutylazanium;fluoride
SMILESCCCC[N+](CCCC)(CCCC)CCCC.FB(F)c1ccccc1.[F-]
InChIInChI=1S/C16H36N.C6H5BF2.FH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;8-7(9)6-4-2-1-3-5-6;/h5-16H2,1-4H3;1-5H;1H/q+1;;/p-1
InChIKeyIWTNFEUYZVMFQJ-UHFFFAOYSA-M
XLogP3.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.38
LogP ≤ 53.33
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'}

Analyze difluoro(phenyl)borane;tetrabutylazanium;fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

fluoro(triphenyl)silane;tetrabutylazanium;fluoride
CID 11027938
benzenethiolate;tetrabutylazanium
CID 11772529
tetrabutylazanium;1,2-xylene
CID 69453766
benzyl-butyl-didodecylazanium
CID 156729719
tributyl(4,4,4-triphenylbutyl)azanium
CID 118467118
1,1-diphenylbutylbenzene;tetrabutylazanium
CID 173340312
silane;tetrabutylazanium;fluoride
CID 174896730
phosphane;tetrabutylazanium;fluoride
CID 174703499
tetrabutylazanium;fluoride;dihydrate
CID 22343550
phenol;tetrabutylazanium;tributyl(methyl)azanium
CID 157234529
2-methoxycarbonylphenolate;tetrabutylazanium
CID 67244216
2-sulfanylbenzoic acid;tetrabutylazanium
CID 174440001

Frequently Asked Questions

What is the IUPAC name of difluoro(phenyl)borane;tetrabutylazanium;fluoride?
The IUPAC name of difluoro(phenyl)borane;tetrabutylazanium;fluoride (CID 166604409) is difluoro(phenyl)borane;tetrabutylazanium;fluoride.
What is the SMILES notation for difluoro(phenyl)borane;tetrabutylazanium;fluoride?
The canonical SMILES for difluoro(phenyl)borane;tetrabutylazanium;fluoride is CCCC[N+](CCCC)(CCCC)CCCC.FB(F)c1ccccc1.[F-].
What is the InChIKey of difluoro(phenyl)borane;tetrabutylazanium;fluoride?
The InChIKey is IWTNFEUYZVMFQJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H36N.C6H5BF2.FH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;8-7(9)6-4-2-1-3-5-6;/h5-16H2,1-4H3;1-5H;1H/q+1;;/p-1.
What are the key properties of difluoro(phenyl)borane;tetrabutylazanium;fluoride?
difluoro(phenyl)borane;tetrabutylazanium;fluoride has a molecular weight of 387.38 g/mol, XLogP of 3.33, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro(phenyl)borane;tetrabutylazanium;fluoride is sourced from PubChem (CID 166604409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).