benzene-1,4-didiazonium tetrafluoroborate

C6H4BF4N4+ — CID 87828141

IUPACbenzene-1,4-didiazonium tetrafluoroborate
SMILESF[B-](F)(F)F.N#[N+]c1ccc([N+]#N)cc1
InChIInChI=1S/C6H4N4.BF4/c7-9-5-1-2-6(10-8)4-3-5;2-1(3,4)5/h1-4H;/q+2;-1
InChIKeySTVSEMBHBRFLLT-UHFFFAOYSA-N
MW218.93 g/mol
LogP3.96
Rot. Bonds

About benzene-1,4-didiazonium tetrafluoroborate

benzene-1,4-didiazonium tetrafluoroborate (PubChem CID 87828141) has the molecular formula C6H4BF4N4+ and a molecular weight of 218.93 g/mol. Its IUPAC name is benzene-1,4-didiazonium tetrafluoroborate.

Molecular Properties

Compound Namebenzene-1,4-didiazonium tetrafluoroborate
PubChem CID87828141
Molecular FormulaC6H4BF4N4+
Molecular Weight218.93 g/mol
Exact Mass219.05
IUPAC Namebenzene-1,4-didiazonium tetrafluoroborate
SMILESF[B-](F)(F)F.N#[N+]c1ccc([N+]#N)cc1
InChIInChI=1S/C6H4N4.BF4/c7-9-5-1-2-6(10-8)4-3-5;2-1(3,4)5/h1-4H;/q+2;-1
InChIKeySTVSEMBHBRFLLT-UHFFFAOYSA-N
XLogP3.96
TPSA56.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.93
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzene-1,4-didiazonium tetrafluoroborate?
The IUPAC name of benzene-1,4-didiazonium tetrafluoroborate (CID 87828141) is benzene-1,4-didiazonium tetrafluoroborate.
What is the SMILES notation for benzene-1,4-didiazonium tetrafluoroborate?
The canonical SMILES for benzene-1,4-didiazonium tetrafluoroborate is F[B-](F)(F)F.N#[N+]c1ccc([N+]#N)cc1.
What is the InChIKey of benzene-1,4-didiazonium tetrafluoroborate?
The InChIKey is STVSEMBHBRFLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N4.BF4/c7-9-5-1-2-6(10-8)4-3-5;2-1(3,4)5/h1-4H;/q+2;-1.
What are the key properties of benzene-1,4-didiazonium tetrafluoroborate?
benzene-1,4-didiazonium tetrafluoroborate has a molecular weight of 218.93 g/mol, XLogP of 3.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,4-didiazonium tetrafluoroborate is sourced from PubChem (CID 87828141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).