1,1,2-trichloroethene

C2HCl3 — CID 6575

💊View drug profile → trichloroethylene
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 1,1,2-trichloroethene

1,1,2-trichloroethene (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 Name1,1,2-trichloroethene
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
Trichloroethylene-d
CID 12250715
1,1,2-Trichloro(~13~C_2_)ethene
CID 71309691
Trichloroallene
CID 21638991
Trichloroethylene.chloroform
CID 87066499
Trichloroethylene water
CID 88331337
Trile hydrochloride
CID 88385706
Trichlorethen Tetrachlormethan
CID 117875785
Vinylchlorin
CID 129694931
(Z)-1-chloro-2-(chloromethylchloranuidyl)-1-fluoroethene
CID 58434838

Frequently Asked Questions

What is the IUPAC name of 1,1,2-trichloroethene?
The IUPAC name of 1,1,2-trichloroethene (CID 6575) 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.
What is the InChIKey of 1,1,2-trichloroethene?
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 1,1,2-trichloroethene?
1,1,2-trichloroethene 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 1,1,2-trichloroethene is sourced from PubChem (CID 6575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).