tetrakis(3,5-difluorophenyl)boranuide;triethylazanium

C30H28BF8N — CID 175777730

IUPACtetrakis(3,5-difluorophenyl)boranuide;triethylazanium
SMILESCC[NH+](CC)CC.Fc1cc(F)cc([B-](c2cc(F)cc(F)c2)(c2cc(F)cc(F)c2)c2cc(F)cc(F)c2)c1
InChIInChI=1S/C24H12BF8.C6H15N/c26-17-1-13(2-18(27)9-17)25(14-3-19(28)10-20(29)4-14,15-5-21(30)11-22(31)6-15)16-7-23(32)12-24(33)8-16;1-4-7(5-2)6-3/h1-12H;4-6H2,1-3H3/q-1;/p+1
InChIKeyFZOSRTAZYYZOBT-UHFFFAOYSA-O
MW565.36 g/mol
LogP4.11
Rot. Bonds7

About tetrakis(3,5-difluorophenyl)boranuide;triethylazanium

tetrakis(3,5-difluorophenyl)boranuide;triethylazanium (PubChem CID 175777730) has the molecular formula C30H28BF8N and a molecular weight of 565.36 g/mol. Its IUPAC name is tetrakis(3,5-difluorophenyl)boranuide;triethylazanium.

Molecular Properties

Compound Nametetrakis(3,5-difluorophenyl)boranuide;triethylazanium
PubChem CID175777730
Molecular FormulaC30H28BF8N
Molecular Weight565.36 g/mol
Exact Mass565.22
IUPAC Nametetrakis(3,5-difluorophenyl)boranuide;triethylazanium
SMILESCC[NH+](CC)CC.Fc1cc(F)cc([B-](c2cc(F)cc(F)c2)(c2cc(F)cc(F)c2)c2cc(F)cc(F)c2)c1
InChIInChI=1S/C24H12BF8.C6H15N/c26-17-1-13(2-18(27)9-17)25(14-3-19(28)10-20(29)4-14,15-5-21(30)11-22(31)6-15)16-7-23(32)12-24(33)8-16;1-4-7(5-2)6-3/h1-12H;4-6H2,1-3H3/q-1;/p+1
InChIKeyFZOSRTAZYYZOBT-UHFFFAOYSA-O
XLogP4.11
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.36
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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1-(3,5-difluoroanilino)butan-2-ol
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Frequently Asked Questions

What is the IUPAC name of tetrakis(3,5-difluorophenyl)boranuide;triethylazanium?
The IUPAC name of tetrakis(3,5-difluorophenyl)boranuide;triethylazanium (CID 175777730) is tetrakis(3,5-difluorophenyl)boranuide;triethylazanium.
What is the SMILES notation for tetrakis(3,5-difluorophenyl)boranuide;triethylazanium?
The canonical SMILES for tetrakis(3,5-difluorophenyl)boranuide;triethylazanium is CC[NH+](CC)CC.Fc1cc(F)cc([B-](c2cc(F)cc(F)c2)(c2cc(F)cc(F)c2)c2cc(F)cc(F)c2)c1.
What is the InChIKey of tetrakis(3,5-difluorophenyl)boranuide;triethylazanium?
The InChIKey is FZOSRTAZYYZOBT-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H12BF8.C6H15N/c26-17-1-13(2-18(27)9-17)25(14-3-19(28)10-20(29)4-14,15-5-21(30)11-22(31)6-15)16-7-23(32)12-24(33)8-16;1-4-7(5-2)6-3/h1-12H;4-6H2,1-3H3/q-1;/p+1.
What are the key properties of tetrakis(3,5-difluorophenyl)boranuide;triethylazanium?
tetrakis(3,5-difluorophenyl)boranuide;triethylazanium has a molecular weight of 565.36 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(3,5-difluorophenyl)boranuide;triethylazanium is sourced from PubChem (CID 175777730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).