benzenediazonium tetratetrafluoroborate

C6H5B4F16N2-3 — CID 19876590

IUPACbenzenediazonium tetratetrafluoroborate
SMILESF[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.N#[N+]c1ccccc1
InChIInChI=1S/C6H5N2.4BF4/c7-8-6-4-2-1-3-5-6;4*2-1(3,4)5/h1-5H;;;;/q+1;4*-1
InChIKeyOYCKCZCDAXEJQE-UHFFFAOYSA-N
MW452.34 g/mol
LogP7.37
Rot. Bonds

About benzenediazonium tetratetrafluoroborate

benzenediazonium tetratetrafluoroborate (PubChem CID 19876590) has the molecular formula C6H5B4F16N2-3 and a molecular weight of 452.34 g/mol. Its IUPAC name is benzenediazonium tetratetrafluoroborate.

Molecular Properties

Compound Namebenzenediazonium tetratetrafluoroborate
PubChem CID19876590
Molecular FormulaC6H5B4F16N2-3
Molecular Weight452.34 g/mol
Exact Mass453.06
IUPAC Namebenzenediazonium tetratetrafluoroborate
SMILESF[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.N#[N+]c1ccccc1
InChIInChI=1S/C6H5N2.4BF4/c7-8-6-4-2-1-3-5-6;4*2-1(3,4)5/h1-5H;;;;/q+1;4*-1
InChIKeyOYCKCZCDAXEJQE-UHFFFAOYSA-N
XLogP7.37
TPSA28.15 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.34
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 benzenediazonium tetratetrafluoroborate?
The IUPAC name of benzenediazonium tetratetrafluoroborate (CID 19876590) is benzenediazonium tetratetrafluoroborate.
What is the SMILES notation for benzenediazonium tetratetrafluoroborate?
The canonical SMILES for benzenediazonium tetratetrafluoroborate is F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.N#[N+]c1ccccc1.
What is the InChIKey of benzenediazonium tetratetrafluoroborate?
The InChIKey is OYCKCZCDAXEJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N2.4BF4/c7-8-6-4-2-1-3-5-6;4*2-1(3,4)5/h1-5H;;;;/q+1;4*-1.
What are the key properties of benzenediazonium tetratetrafluoroborate?
benzenediazonium tetratetrafluoroborate has a molecular weight of 452.34 g/mol, XLogP of 7.37, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzenediazonium tetratetrafluoroborate is sourced from PubChem (CID 19876590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).