1,1,1,2-tetrachloroethane;1,1,2,2-tetrachloroethane

C4H4Cl8 — CID 23424235

IUPAC1,1,1,2-tetrachloroethane;1,1,2,2-tetrachloroethane
SMILESClC(Cl)C(Cl)Cl.ClCC(Cl)(Cl)Cl
InChIInChI=1S/2C2H2Cl4/c3-1-2(4,5)6;3-1(4)2(5)6/h1H2;1-2H
InChIKeyMEKJIUITLNIMMR-UHFFFAOYSA-N
MW335.70 g/mol
LogP5.19
Rot. Bonds1

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

1,1,1,2-tetrachloroethane;1,1,2,2-tetrachloroethane (PubChem CID 23424235) has the molecular formula C4H4Cl8 and a molecular weight of 335.70 g/mol. Its IUPAC name is 1,1,1,2-tetrachloroethane;1,1,2,2-tetrachloroethane.

Molecular Properties

Compound Name1,1,1,2-tetrachloroethane;1,1,2,2-tetrachloroethane
PubChem CID23424235
Molecular FormulaC4H4Cl8
Molecular Weight335.70 g/mol
Exact Mass331.78
IUPAC Name1,1,1,2-tetrachloroethane;1,1,2,2-tetrachloroethane
SMILESClC(Cl)C(Cl)Cl.ClCC(Cl)(Cl)Cl
InChIInChI=1S/2C2H2Cl4/c3-1-2(4,5)6;3-1(4)2(5)6/h1H2;1-2H
InChIKeyMEKJIUITLNIMMR-UHFFFAOYSA-N
XLogP5.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.70
LogP ≤ 55.19
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 1,1,1,2-tetrachloroethane;1,1,2,2-tetrachloroethane?
The IUPAC name of 1,1,1,2-tetrachloroethane;1,1,2,2-tetrachloroethane (CID 23424235) is 1,1,1,2-tetrachloroethane;1,1,2,2-tetrachloroethane.
What is the SMILES notation for 1,1,1,2-tetrachloroethane;1,1,2,2-tetrachloroethane?
The canonical SMILES for 1,1,1,2-tetrachloroethane;1,1,2,2-tetrachloroethane is ClC(Cl)C(Cl)Cl.ClCC(Cl)(Cl)Cl.
What is the InChIKey of 1,1,1,2-tetrachloroethane;1,1,2,2-tetrachloroethane?
The InChIKey is MEKJIUITLNIMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H2Cl4/c3-1-2(4,5)6;3-1(4)2(5)6/h1H2;1-2H.
What are the key properties of 1,1,1,2-tetrachloroethane;1,1,2,2-tetrachloroethane?
1,1,1,2-tetrachloroethane;1,1,2,2-tetrachloroethane has a molecular weight of 335.70 g/mol, XLogP of 5.19, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2-tetrachloroethane;1,1,2,2-tetrachloroethane is sourced from PubChem (CID 23424235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).