2,4-dichloro-1-(trichloromethyl)benzene

C7H3Cl5 — CID 25607

IUPAC2,4-dichloro-1-(trichloromethyl)benzene
SMILESClc1ccc(C(Cl)(Cl)Cl)c(Cl)c1
InChIInChI=1S/C7H3Cl5/c8-4-1-2-5(6(9)3-4)7(10,11)12/h1-3H
InChIKeyKZSNBJMYJWDVTK-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.82
Rot. Bonds

About 2,4-dichloro-1-(trichloromethyl)benzene

2,4-dichloro-1-(trichloromethyl)benzene (PubChem CID 25607) has the molecular formula C7H3Cl5 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2,4-dichloro-1-(trichloromethyl)benzene.

Molecular Properties

Compound Name2,4-dichloro-1-(trichloromethyl)benzene
PubChem CID25607
Molecular FormulaC7H3Cl5
Molecular Weight264.37 g/mol
Exact Mass261.87
IUPAC Name2,4-dichloro-1-(trichloromethyl)benzene
SMILESClc1ccc(C(Cl)(Cl)Cl)c(Cl)c1
InChIInChI=1S/C7H3Cl5/c8-4-1-2-5(6(9)3-4)7(10,11)12/h1-3H
InChIKeyKZSNBJMYJWDVTK-UHFFFAOYSA-N
XLogP4.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,4-dichloro-1-(trichloromethyl)benzene 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-1-(trichloromethyl)benzene?
The IUPAC name of 2,4-dichloro-1-(trichloromethyl)benzene (CID 25607) is 2,4-dichloro-1-(trichloromethyl)benzene.
What is the SMILES notation for 2,4-dichloro-1-(trichloromethyl)benzene?
The canonical SMILES for 2,4-dichloro-1-(trichloromethyl)benzene is Clc1ccc(C(Cl)(Cl)Cl)c(Cl)c1.
What is the InChIKey of 2,4-dichloro-1-(trichloromethyl)benzene?
The InChIKey is KZSNBJMYJWDVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl5/c8-4-1-2-5(6(9)3-4)7(10,11)12/h1-3H.
What are the key properties of 2,4-dichloro-1-(trichloromethyl)benzene?
2,4-dichloro-1-(trichloromethyl)benzene has a molecular weight of 264.37 g/mol, XLogP of 4.82, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-(trichloromethyl)benzene is sourced from PubChem (CID 25607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).