benzenediazonium tetrafluoroborate

C6H5BF4N2 — CID 5284485

IUPACbenzenediazonium tetrafluoroborate
SMILESF[B-](F)(F)F.N#[N+]c1ccccc1
InChIInChI=1S/C6H5N2.BF4/c7-8-6-4-2-1-3-5-6;2-1(3,4)5/h1-5H;/q+1;-1
InChIKeyJNCLVGMBRSKDED-UHFFFAOYSA-N
MW191.92 g/mol
LogP3.47
Rot. Bonds

About benzenediazonium tetrafluoroborate

benzenediazonium tetrafluoroborate (PubChem CID 5284485) has the molecular formula C6H5BF4N2 and a molecular weight of 191.92 g/mol. Its IUPAC name is benzenediazonium tetrafluoroborate.

Molecular Properties

Compound Namebenzenediazonium tetrafluoroborate
PubChem CID5284485
Molecular FormulaC6H5BF4N2
Molecular Weight191.92 g/mol
Exact Mass192.05
IUPAC Namebenzenediazonium tetrafluoroborate
SMILESF[B-](F)(F)F.N#[N+]c1ccccc1
InChIInChI=1S/C6H5N2.BF4/c7-8-6-4-2-1-3-5-6;2-1(3,4)5/h1-5H;/q+1;-1
InChIKeyJNCLVGMBRSKDED-UHFFFAOYSA-N
XLogP3.47
TPSA28.15 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.92
LogP ≤ 53.47
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 tetrafluoroborate?
The IUPAC name of benzenediazonium tetrafluoroborate (CID 5284485) is benzenediazonium tetrafluoroborate.
What is the SMILES notation for benzenediazonium tetrafluoroborate?
The canonical SMILES for benzenediazonium tetrafluoroborate is F[B-](F)(F)F.N#[N+]c1ccccc1.
What is the InChIKey of benzenediazonium tetrafluoroborate?
The InChIKey is JNCLVGMBRSKDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N2.BF4/c7-8-6-4-2-1-3-5-6;2-1(3,4)5/h1-5H;/q+1;-1.
What are the key properties of benzenediazonium tetrafluoroborate?
benzenediazonium tetrafluoroborate has a molecular weight of 191.92 g/mol, XLogP of 3.47, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzenediazonium tetrafluoroborate is sourced from PubChem (CID 5284485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).