1-chloro-2-(1,2,2-trichloroethenyl)benzene

C8H4Cl4 — CID 54482380

IUPAC1-chloro-2-(1,2,2-trichloroethenyl)benzene
SMILESClC(Cl)=C(Cl)c1ccccc1Cl
InChIInChI=1S/C8H4Cl4/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4H
InChIKeyXPXMCUKPGZUFGR-UHFFFAOYSA-N
MW241.93 g/mol
LogP4.68
Rot. Bonds1

About 1-chloro-2-(1,2,2-trichloroethenyl)benzene

1-chloro-2-(1,2,2-trichloroethenyl)benzene (PubChem CID 54482380) has the molecular formula C8H4Cl4 and a molecular weight of 241.93 g/mol. Its IUPAC name is 1-chloro-2-(1,2,2-trichloroethenyl)benzene.

Molecular Properties

Compound Name1-chloro-2-(1,2,2-trichloroethenyl)benzene
PubChem CID54482380
Molecular FormulaC8H4Cl4
Molecular Weight241.93 g/mol
Exact Mass239.91
IUPAC Name1-chloro-2-(1,2,2-trichloroethenyl)benzene
SMILESClC(Cl)=C(Cl)c1ccccc1Cl
InChIInChI=1S/C8H4Cl4/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4H
InChIKeyXPXMCUKPGZUFGR-UHFFFAOYSA-N
XLogP4.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.93
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-chloro-2-(1,2,2-trichloroethenyl)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-chloro-2-(1-chloroethenyl)benzene
CID 10942929
2-chlorobenzenecarboselenoyl chloride
CID 22643532
3-(1,2,2-trichloroethenyl)benzene-1,2-diol
CID 155490176
2-chlorobenzoyl chloride;phosphoric acid
CID 174968517
1-chloro-2-(3-methylbut-2-en-2-yl)benzene
CID 139836771
2-chlorobenzenecarbothioamide
CID 139147259
azane;1,2-dichlorobenzene
CID 70584322
3-(2-chlorophenyl)-3-oxopropanoyl chloride
CID 175437558
3,3-bis(2-chlorophenyl)prop-2-enenitrile
CID 166114490
1-(2-chlorophenyl)ethanone;hydrochloride
CID 174743581
1-chloro-2-(1-chlorobuta-1,2-dienyl)benzene
CID 159942937
2-chlorobenzoyl chloride;iron;1,2-xylene
CID 174484183

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(1,2,2-trichloroethenyl)benzene?
The IUPAC name of 1-chloro-2-(1,2,2-trichloroethenyl)benzene (CID 54482380) is 1-chloro-2-(1,2,2-trichloroethenyl)benzene.
What is the SMILES notation for 1-chloro-2-(1,2,2-trichloroethenyl)benzene?
The canonical SMILES for 1-chloro-2-(1,2,2-trichloroethenyl)benzene is ClC(Cl)=C(Cl)c1ccccc1Cl.
What is the InChIKey of 1-chloro-2-(1,2,2-trichloroethenyl)benzene?
The InChIKey is XPXMCUKPGZUFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl4/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4H.
What are the key properties of 1-chloro-2-(1,2,2-trichloroethenyl)benzene?
1-chloro-2-(1,2,2-trichloroethenyl)benzene has a molecular weight of 241.93 g/mol, XLogP of 4.68, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(1,2,2-trichloroethenyl)benzene is sourced from PubChem (CID 54482380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).