1-chloro-4-(trichloromethyl)benzene

C7H4Cl4 — CID 21277

IUPAC1-chloro-4-(trichloromethyl)benzene
SMILESClc1ccc(C(Cl)(Cl)Cl)cc1
InChIInChI=1S/C7H4Cl4/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H
InChIKeyLVZPKYYPPLUECL-UHFFFAOYSA-N
MW229.92 g/mol
LogP4.17
Rot. Bonds

About 1-chloro-4-(trichloromethyl)benzene

1-chloro-4-(trichloromethyl)benzene (PubChem CID 21277) has the molecular formula C7H4Cl4 and a molecular weight of 229.92 g/mol. Its IUPAC name is 1-chloro-4-(trichloromethyl)benzene.

Molecular Properties

Compound Name1-chloro-4-(trichloromethyl)benzene
PubChem CID21277
Molecular FormulaC7H4Cl4
Molecular Weight229.92 g/mol
Exact Mass227.91
IUPAC Name1-chloro-4-(trichloromethyl)benzene
SMILESClc1ccc(C(Cl)(Cl)Cl)cc1
InChIInChI=1S/C7H4Cl4/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H
InChIKeyLVZPKYYPPLUECL-UHFFFAOYSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.92
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(trichloromethyl)benzene?
The IUPAC name of 1-chloro-4-(trichloromethyl)benzene (CID 21277) is 1-chloro-4-(trichloromethyl)benzene.
What is the SMILES notation for 1-chloro-4-(trichloromethyl)benzene?
The canonical SMILES for 1-chloro-4-(trichloromethyl)benzene is Clc1ccc(C(Cl)(Cl)Cl)cc1.
What is the InChIKey of 1-chloro-4-(trichloromethyl)benzene?
The InChIKey is LVZPKYYPPLUECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl4/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H.
What are the key properties of 1-chloro-4-(trichloromethyl)benzene?
1-chloro-4-(trichloromethyl)benzene has a molecular weight of 229.92 g/mol, XLogP of 4.17, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(trichloromethyl)benzene is sourced from PubChem (CID 21277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).