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Trichloroethylene

C2HCl3 — CID 6575

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Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1,1,2-trichloroethene
SMILESClC=C(Cl)Cl
InChIInChI=1S/C2HCl3/c3-1-2(4)5/h1H
InChIKeyXSTXAVWGXDQKEL-UHFFFAOYSA-N
MW131.39 g/mol
LogP2.50
Rot. Bonds

About Trichloroethylene

Trichloroethylene (PubChem CID 6575) has the molecular formula C2HCl3 and a molecular weight of 131.39 g/mol. Its IUPAC name is 1,1,2-trichloroethene.

Molecular Properties

Compound NameTrichloroethylene
PubChem CID6575
Molecular FormulaC2HCl3
Molecular Weight131.39 g/mol
Exact Mass129.91
IUPAC Name1,1,2-trichloroethene
SMILESClC=C(Cl)Cl
InChIInChI=1S/C2HCl3/c3-1-2(4)5/h1H
InChIKeyXSTXAVWGXDQKEL-UHFFFAOYSA-N
XLogP2.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.39
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-Dichloroethylene
CID 10900
Trans-1,2-Dichloroethylene
CID 638186
cis-1,2-Dichloroethylene
CID 643833
1,1,2-Trichloro(~13~C_2_)ethene
CID 71309691
Trichloroethylene.chloroform
CID 87066499

Frequently Asked Questions

What is the IUPAC name of Trichloroethylene?
The IUPAC name of Trichloroethylene (CID 6575) is 1,1,2-trichloroethene.
What is the SMILES notation for Trichloroethylene?
The canonical SMILES for Trichloroethylene is ClC=C(Cl)Cl.
What is the InChIKey of Trichloroethylene?
The InChIKey is XSTXAVWGXDQKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HCl3/c3-1-2(4)5/h1H.
What are the key properties of Trichloroethylene?
Trichloroethylene has a molecular weight of 131.39 g/mol, XLogP of 2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for Trichloroethylene is sourced from PubChem (CID 6575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.