ethene;1,1,2-trichloroethene

C4H5Cl3 — CID 87172389

IUPACethene;1,1,2-trichloroethene
SMILESC=C.ClC=C(Cl)Cl
InChIInChI=1S/C2HCl3.C2H4/c3-1-2(4)5;1-2/h1H;1-2H2
InChIKeyPUDVCCNQMBHJHA-UHFFFAOYSA-N
MW159.44 g/mol
LogP3.30
Rot. Bonds

About ethene;1,1,2-trichloroethene

ethene;1,1,2-trichloroethene (PubChem CID 87172389) has the molecular formula C4H5Cl3 and a molecular weight of 159.44 g/mol. Its IUPAC name is ethene;1,1,2-trichloroethene.

Molecular Properties

Compound Nameethene;1,1,2-trichloroethene
PubChem CID87172389
Molecular FormulaC4H5Cl3
Molecular Weight159.44 g/mol
Exact Mass157.95
IUPAC Nameethene;1,1,2-trichloroethene
SMILESC=C.ClC=C(Cl)Cl
InChIInChI=1S/C2HCl3.C2H4/c3-1-2(4)5;1-2/h1H;1-2H2
InChIKeyPUDVCCNQMBHJHA-UHFFFAOYSA-N
XLogP3.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.44
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethene;1,1,2-trichloroethene?
The IUPAC name of ethene;1,1,2-trichloroethene (CID 87172389) is ethene;1,1,2-trichloroethene.
What is the SMILES notation for ethene;1,1,2-trichloroethene?
The canonical SMILES for ethene;1,1,2-trichloroethene is C=C.ClC=C(Cl)Cl.
What is the InChIKey of ethene;1,1,2-trichloroethene?
The InChIKey is PUDVCCNQMBHJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HCl3.C2H4/c3-1-2(4)5;1-2/h1H;1-2H2.
What are the key properties of ethene;1,1,2-trichloroethene?
ethene;1,1,2-trichloroethene has a molecular weight of 159.44 g/mol, XLogP of 3.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;1,1,2-trichloroethene is sourced from PubChem (CID 87172389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).