(E)-1,2-dichloroethene;dichloromethane

C3H4Cl4 — CID 18799064

IUPAC(E)-1,2-dichloroethene;dichloromethane
SMILESCl/C=C/Cl.ClCCl
InChIInChI=1S/C2H2Cl2.CH2Cl2/c3-1-2-4;2-1-3/h1-2H;1H2/b2-1+;
InChIKeyXGCHXARASCLETM-TYYBGVCCSA-N
MW181.88 g/mol
LogP3.36
Rot. Bonds

About (E)-1,2-dichloroethene;dichloromethane

(E)-1,2-dichloroethene;dichloromethane (PubChem CID 18799064) has the molecular formula C3H4Cl4 and a molecular weight of 181.88 g/mol. Its IUPAC name is (E)-1,2-dichloroethene;dichloromethane.

Molecular Properties

Compound Name(E)-1,2-dichloroethene;dichloromethane
PubChem CID18799064
Molecular FormulaC3H4Cl4
Molecular Weight181.88 g/mol
Exact Mass179.91
IUPAC Name(E)-1,2-dichloroethene;dichloromethane
SMILESCl/C=C/Cl.ClCCl
InChIInChI=1S/C2H2Cl2.CH2Cl2/c3-1-2-4;2-1-3/h1-2H;1H2/b2-1+;
InChIKeyXGCHXARASCLETM-TYYBGVCCSA-N
XLogP3.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.88
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1,2-dichloroethene;dichloromethane?
The IUPAC name of (E)-1,2-dichloroethene;dichloromethane (CID 18799064) is (E)-1,2-dichloroethene;dichloromethane.
What is the SMILES notation for (E)-1,2-dichloroethene;dichloromethane?
The canonical SMILES for (E)-1,2-dichloroethene;dichloromethane is Cl/C=C/Cl.ClCCl.
What is the InChIKey of (E)-1,2-dichloroethene;dichloromethane?
The InChIKey is XGCHXARASCLETM-TYYBGVCCSA-N. The full InChI is InChI=1S/C2H2Cl2.CH2Cl2/c3-1-2-4;2-1-3/h1-2H;1H2/b2-1+;.
What are the key properties of (E)-1,2-dichloroethene;dichloromethane?
(E)-1,2-dichloroethene;dichloromethane has a molecular weight of 181.88 g/mol, XLogP of 3.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,2-dichloroethene;dichloromethane is sourced from PubChem (CID 18799064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).