benzenediazonium fluoride

C6H5FN2 — CID 14533789

IUPACbenzenediazonium fluoride
SMILESN#[N+]c1ccccc1.[F-]
InChIInChI=1S/C6H5N2.FH/c7-8-6-4-2-1-3-5-6;/h1-5H;1H/q+1;/p-1
InChIKeyACHZGYYYBKEPBI-UHFFFAOYSA-M
MW124.12 g/mol
LogP-0.82
Rot. Bonds

About benzenediazonium fluoride

benzenediazonium fluoride (PubChem CID 14533789) has the molecular formula C6H5FN2 and a molecular weight of 124.12 g/mol. Its IUPAC name is benzenediazonium fluoride.

Molecular Properties

Compound Namebenzenediazonium fluoride
PubChem CID14533789
Molecular FormulaC6H5FN2
Molecular Weight124.12 g/mol
Exact Mass124.04
IUPAC Namebenzenediazonium fluoride
SMILESN#[N+]c1ccccc1.[F-]
InChIInChI=1S/C6H5N2.FH/c7-8-6-4-2-1-3-5-6;/h1-5H;1H/q+1;/p-1
InChIKeyACHZGYYYBKEPBI-UHFFFAOYSA-M
XLogP-0.82
TPSA28.15 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.12
LogP ≤ 5-0.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze benzenediazonium fluoride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzenediazonium fluoride?
The IUPAC name of benzenediazonium fluoride (CID 14533789) is benzenediazonium fluoride.
What is the SMILES notation for benzenediazonium fluoride?
The canonical SMILES for benzenediazonium fluoride is N#[N+]c1ccccc1.[F-].
What is the InChIKey of benzenediazonium fluoride?
The InChIKey is ACHZGYYYBKEPBI-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H5N2.FH/c7-8-6-4-2-1-3-5-6;/h1-5H;1H/q+1;/p-1.
What are the key properties of benzenediazonium fluoride?
benzenediazonium fluoride has a molecular weight of 124.12 g/mol, XLogP of -0.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzenediazonium fluoride is sourced from PubChem (CID 14533789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).