2,4-dichloro-5-fluorobenzenediazonium acetate

C8H5Cl2FN2O2 — CID 22410778

IUPAC2,4-dichloro-5-fluorobenzenediazonium acetate
SMILESCC(=O)[O-].N#[N+]c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C6H2Cl2FN2.C2H4O2/c7-3-1-4(8)6(11-10)2-5(3)9;1-2(3)4/h1-2H;1H3,(H,3,4)/q+1;/p-1
InChIKeySIFAXJWBTJUAOZ-UHFFFAOYSA-M
MW251.04 g/mol
LogP2.37
Rot. Bonds

About 2,4-dichloro-5-fluorobenzenediazonium acetate

2,4-dichloro-5-fluorobenzenediazonium acetate (PubChem CID 22410778) has the molecular formula C8H5Cl2FN2O2 and a molecular weight of 251.04 g/mol. Its IUPAC name is 2,4-dichloro-5-fluorobenzenediazonium acetate.

Molecular Properties

Compound Name2,4-dichloro-5-fluorobenzenediazonium acetate
PubChem CID22410778
Molecular FormulaC8H5Cl2FN2O2
Molecular Weight251.04 g/mol
Exact Mass249.97
IUPAC Name2,4-dichloro-5-fluorobenzenediazonium acetate
SMILESCC(=O)[O-].N#[N+]c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C6H2Cl2FN2.C2H4O2/c7-3-1-4(8)6(11-10)2-5(3)9;1-2(3)4/h1-2H;1H3,(H,3,4)/q+1;/p-1
InChIKeySIFAXJWBTJUAOZ-UHFFFAOYSA-M
XLogP2.37
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.04
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2,4-dichloro-5-fluorobenzenediazonium acetate 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 2,4-dichloro-5-fluorobenzenediazonium acetate?
The IUPAC name of 2,4-dichloro-5-fluorobenzenediazonium acetate (CID 22410778) is 2,4-dichloro-5-fluorobenzenediazonium acetate.
What is the SMILES notation for 2,4-dichloro-5-fluorobenzenediazonium acetate?
The canonical SMILES for 2,4-dichloro-5-fluorobenzenediazonium acetate is CC(=O)[O-].N#[N+]c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-fluorobenzenediazonium acetate?
The InChIKey is SIFAXJWBTJUAOZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H2Cl2FN2.C2H4O2/c7-3-1-4(8)6(11-10)2-5(3)9;1-2(3)4/h1-2H;1H3,(H,3,4)/q+1;/p-1.
What are the key properties of 2,4-dichloro-5-fluorobenzenediazonium acetate?
2,4-dichloro-5-fluorobenzenediazonium acetate has a molecular weight of 251.04 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-fluorobenzenediazonium acetate is sourced from PubChem (CID 22410778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).