benzene;1,1,2,2-tetrachloroethane

C8H8Cl4 — CID 23203518

IUPACbenzene;1,1,2,2-tetrachloroethane
SMILESClC(Cl)C(Cl)Cl.c1ccccc1
InChIInChI=1S/C6H6.C2H2Cl4/c1-2-4-6-5-3-1;3-1(4)2(5)6/h1-6H;1-2H
InChIKeyAYOHJRQDQRDBAZ-UHFFFAOYSA-N
MW245.96 g/mol
LogP4.28
Rot. Bonds1

About benzene;1,1,2,2-tetrachloroethane

benzene;1,1,2,2-tetrachloroethane (PubChem CID 23203518) has the molecular formula C8H8Cl4 and a molecular weight of 245.96 g/mol. Its IUPAC name is benzene;1,1,2,2-tetrachloroethane.

Molecular Properties

Compound Namebenzene;1,1,2,2-tetrachloroethane
PubChem CID23203518
Molecular FormulaC8H8Cl4
Molecular Weight245.96 g/mol
Exact Mass243.94
IUPAC Namebenzene;1,1,2,2-tetrachloroethane
SMILESClC(Cl)C(Cl)Cl.c1ccccc1
InChIInChI=1S/C6H6.C2H2Cl4/c1-2-4-6-5-3-1;3-1(4)2(5)6/h1-6H;1-2H
InChIKeyAYOHJRQDQRDBAZ-UHFFFAOYSA-N
XLogP4.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.96
LogP ≤ 54.28
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 benzene;1,1,2,2-tetrachloroethane?
The IUPAC name of benzene;1,1,2,2-tetrachloroethane (CID 23203518) is benzene;1,1,2,2-tetrachloroethane.
What is the SMILES notation for benzene;1,1,2,2-tetrachloroethane?
The canonical SMILES for benzene;1,1,2,2-tetrachloroethane is ClC(Cl)C(Cl)Cl.c1ccccc1.
What is the InChIKey of benzene;1,1,2,2-tetrachloroethane?
The InChIKey is AYOHJRQDQRDBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C2H2Cl4/c1-2-4-6-5-3-1;3-1(4)2(5)6/h1-6H;1-2H.
What are the key properties of benzene;1,1,2,2-tetrachloroethane?
benzene;1,1,2,2-tetrachloroethane has a molecular weight of 245.96 g/mol, XLogP of 4.28, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1,1,2,2-tetrachloroethane is sourced from PubChem (CID 23203518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).