1,1,2-trichloroethene

C4H2Cl6 — CID 23616282

IUPAC1,1,2-trichloroethene
SMILESClC=C(Cl)Cl.ClC=C(Cl)Cl
InChIInChI=1S/2C2HCl3/c2*3-1-2(4)5/h2*1H
InChIKeyMWSOSEYIOCGKDW-UHFFFAOYSA-N
MW262.78 g/mol
LogP5.00
Rot. Bonds

About 1,1,2-trichloroethene

1,1,2-trichloroethene (PubChem CID 23616282) has the molecular formula C4H2Cl6 and a molecular weight of 262.78 g/mol. Its IUPAC name is 1,1,2-trichloroethene.

Molecular Properties

Compound Name1,1,2-trichloroethene
PubChem CID23616282
Molecular FormulaC4H2Cl6
Molecular Weight262.78 g/mol
Exact Mass259.83
IUPAC Name1,1,2-trichloroethene
SMILESClC=C(Cl)Cl.ClC=C(Cl)Cl
InChIInChI=1S/2C2HCl3/c2*3-1-2(4)5/h2*1H
InChIKeyMWSOSEYIOCGKDW-UHFFFAOYSA-N
XLogP5.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.78
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,2-trichloroethene?
The IUPAC name of 1,1,2-trichloroethene (CID 23616282) is 1,1,2-trichloroethene.
What is the SMILES notation for 1,1,2-trichloroethene?
The canonical SMILES for 1,1,2-trichloroethene is ClC=C(Cl)Cl.ClC=C(Cl)Cl.
What is the InChIKey of 1,1,2-trichloroethene?
The InChIKey is MWSOSEYIOCGKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2HCl3/c2*3-1-2(4)5/h2*1H.
What are the key properties of 1,1,2-trichloroethene?
1,1,2-trichloroethene has a molecular weight of 262.78 g/mol, XLogP of 5.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trichloroethene is sourced from PubChem (CID 23616282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).