2,4-dichloro-5-fluorobenzenediazonium chloride

C6H2Cl3FN2 — CID 22410780

IUPAC2,4-dichloro-5-fluorobenzenediazonium chloride
SMILESN#[N+]c1cc(F)c(Cl)cc1Cl.[Cl-]
InChIInChI=1S/C6H2Cl2FN2.ClH/c7-3-1-4(8)6(11-10)2-5(3)9;/h1-2H;1H/q+1;/p-1
InChIKeyXVQFMULWTZYNDQ-UHFFFAOYSA-M
MW227.45 g/mol
LogP0.62
Rot. Bonds

About 2,4-dichloro-5-fluorobenzenediazonium chloride

2,4-dichloro-5-fluorobenzenediazonium chloride (PubChem CID 22410780) has the molecular formula C6H2Cl3FN2 and a molecular weight of 227.45 g/mol. Its IUPAC name is 2,4-dichloro-5-fluorobenzenediazonium chloride.

Molecular Properties

Compound Name2,4-dichloro-5-fluorobenzenediazonium chloride
PubChem CID22410780
Molecular FormulaC6H2Cl3FN2
Molecular Weight227.45 g/mol
Exact Mass225.93
IUPAC Name2,4-dichloro-5-fluorobenzenediazonium chloride
SMILESN#[N+]c1cc(F)c(Cl)cc1Cl.[Cl-]
InChIInChI=1S/C6H2Cl2FN2.ClH/c7-3-1-4(8)6(11-10)2-5(3)9;/h1-2H;1H/q+1;/p-1
InChIKeyXVQFMULWTZYNDQ-UHFFFAOYSA-M
XLogP0.62
TPSA28.15 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.45
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 chloride 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 chloride?
The IUPAC name of 2,4-dichloro-5-fluorobenzenediazonium chloride (CID 22410780) is 2,4-dichloro-5-fluorobenzenediazonium chloride.
What is the SMILES notation for 2,4-dichloro-5-fluorobenzenediazonium chloride?
The canonical SMILES for 2,4-dichloro-5-fluorobenzenediazonium chloride is N#[N+]c1cc(F)c(Cl)cc1Cl.[Cl-].
What is the InChIKey of 2,4-dichloro-5-fluorobenzenediazonium chloride?
The InChIKey is XVQFMULWTZYNDQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H2Cl2FN2.ClH/c7-3-1-4(8)6(11-10)2-5(3)9;/h1-2H;1H/q+1;/p-1.
What are the key properties of 2,4-dichloro-5-fluorobenzenediazonium chloride?
2,4-dichloro-5-fluorobenzenediazonium chloride has a molecular weight of 227.45 g/mol, XLogP of 0.62, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-fluorobenzenediazonium chloride is sourced from PubChem (CID 22410780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).