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

C7H3Cl5 — CID 25608

IUPAC1,2-dichloro-4-(trichloromethyl)benzene
SMILESClc1ccc(C(Cl)(Cl)Cl)cc1Cl
InChIInChI=1S/C7H3Cl5/c8-5-2-1-4(3-6(5)9)7(10,11)12/h1-3H
InChIKeyATYLRBXENHNROH-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.82
Rot. Bonds

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

1,2-dichloro-4-(trichloromethyl)benzene (PubChem CID 25608) has the molecular formula C7H3Cl5 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1,2-dichloro-4-(trichloromethyl)benzene.

Molecular Properties

Compound Name1,2-dichloro-4-(trichloromethyl)benzene
PubChem CID25608
Molecular FormulaC7H3Cl5
Molecular Weight264.37 g/mol
Exact Mass261.87
IUPAC Name1,2-dichloro-4-(trichloromethyl)benzene
SMILESClc1ccc(C(Cl)(Cl)Cl)cc1Cl
InChIInChI=1S/C7H3Cl5/c8-5-2-1-4(3-6(5)9)7(10,11)12/h1-3H
InChIKeyATYLRBXENHNROH-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 1,2-dichloro-4-(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

Related Compounds

1,2-dichloro-4-(2-fluoropropan-2-yl)benzene
CID 84674781
1,4-bis(trichloromethyl)benzene
CID 88520389
4-[1-(3,4-dichlorophenyl)-1-(4-hydroxyphenyl)ethyl]phenol
CID 21293255
1,1,4,4-tetrakis(3,4-dichlorophenyl)butane-1,4-diol
CID 154188534
4-(1-bromo-2-methylpropan-2-yl)-1,2-dichlorobenzene
CID 82045228
3-(3,4-dichlorophenyl)-3-methylbutan-2-ol
CID 66740002
2-(3,4-dichlorophenyl)-2-methylpropan-1-amine
CID 13290303
1,3-diamino-2-(3,4-dichlorophenyl)propan-2-ol
CID 57144234
(2S)-2-(3,4-dichlorophenyl)butan-2-ol
CID 94471655
4-(4-bromo-2-methylbutan-2-yl)-1,2-dichlorobenzene
CID 79838104
3-(3,4-dichlorophenyl)-3-fluorobutan-2-amine
CID 130574670
2-(3,4-dichlorophenyl)-2-methylpropanoate
CID 51664096

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-(trichloromethyl)benzene?
The IUPAC name of 1,2-dichloro-4-(trichloromethyl)benzene (CID 25608) is 1,2-dichloro-4-(trichloromethyl)benzene.
What is the SMILES notation for 1,2-dichloro-4-(trichloromethyl)benzene?
The canonical SMILES for 1,2-dichloro-4-(trichloromethyl)benzene is Clc1ccc(C(Cl)(Cl)Cl)cc1Cl.
What is the InChIKey of 1,2-dichloro-4-(trichloromethyl)benzene?
The InChIKey is ATYLRBXENHNROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl5/c8-5-2-1-4(3-6(5)9)7(10,11)12/h1-3H.
What are the key properties of 1,2-dichloro-4-(trichloromethyl)benzene?
1,2-dichloro-4-(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 1,2-dichloro-4-(trichloromethyl)benzene is sourced from PubChem (CID 25608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).