5-diazocyclohexa-1,3-diene;fluoroarsonic acid

C6H14As4F4N2O12 — CID 174514810

IUPAC5-diazocyclohexa-1,3-diene;fluoroarsonic acid
SMILESO=[As](O)(O)F.O=[As](O)(O)F.O=[As](O)(O)F.O=[As](O)(O)F.[N-]=[N+]=C1C=CC=CC1
InChIInChI=1S/C6H6N2.4AsFH2O3/c7-8-6-4-2-1-3-5-6;4*2-1(3,4)5/h1-4H,5H2;4*(H2,3,4,5)
InChIKeyHTNCZEBPTGDJCS-UHFFFAOYSA-N
MW681.86 g/mol
LogP-3.60
Rot. Bonds

About 5-diazocyclohexa-1,3-diene;fluoroarsonic acid

5-diazocyclohexa-1,3-diene;fluoroarsonic acid (PubChem CID 174514810) has the molecular formula C6H14As4F4N2O12 and a molecular weight of 681.86 g/mol. Its IUPAC name is 5-diazocyclohexa-1,3-diene;fluoroarsonic acid.

Molecular Properties

Compound Name5-diazocyclohexa-1,3-diene;fluoroarsonic acid
PubChem CID174514810
Molecular FormulaC6H14As4F4N2O12
Molecular Weight681.86 g/mol
Exact Mass681.73
IUPAC Name5-diazocyclohexa-1,3-diene;fluoroarsonic acid
SMILESO=[As](O)(O)F.O=[As](O)(O)F.O=[As](O)(O)F.O=[As](O)(O)F.[N-]=[N+]=C1C=CC=CC1
InChIInChI=1S/C6H6N2.4AsFH2O3/c7-8-6-4-2-1-3-5-6;4*2-1(3,4)5/h1-4H,5H2;4*(H2,3,4,5)
InChIKeyHTNCZEBPTGDJCS-UHFFFAOYSA-N
XLogP-3.60
TPSA266.52 Ų
H-Bond Donors8
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.86
LogP ≤ 5-3.60
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 5-diazocyclohexa-1,3-diene;fluoroarsonic acid 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 5-diazocyclohexa-1,3-diene;fluoroarsonic acid?
The IUPAC name of 5-diazocyclohexa-1,3-diene;fluoroarsonic acid (CID 174514810) is 5-diazocyclohexa-1,3-diene;fluoroarsonic acid.
What is the SMILES notation for 5-diazocyclohexa-1,3-diene;fluoroarsonic acid?
The canonical SMILES for 5-diazocyclohexa-1,3-diene;fluoroarsonic acid is O=[As](O)(O)F.O=[As](O)(O)F.O=[As](O)(O)F.O=[As](O)(O)F.[N-]=[N+]=C1C=CC=CC1.
What is the InChIKey of 5-diazocyclohexa-1,3-diene;fluoroarsonic acid?
The InChIKey is HTNCZEBPTGDJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2.4AsFH2O3/c7-8-6-4-2-1-3-5-6;4*2-1(3,4)5/h1-4H,5H2;4*(H2,3,4,5).
What are the key properties of 5-diazocyclohexa-1,3-diene;fluoroarsonic acid?
5-diazocyclohexa-1,3-diene;fluoroarsonic acid has a molecular weight of 681.86 g/mol, XLogP of -3.60, 0 rotatable bonds, 8 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-diazocyclohexa-1,3-diene;fluoroarsonic acid is sourced from PubChem (CID 174514810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).