1,1,1,2,2,2-hexachloroethane;tetrachloromethane

C3Cl10 — CID 87168985

IUPAC1,1,1,2,2,2-hexachloroethane;tetrachloromethane
SMILESClC(Cl)(Cl)C(Cl)(Cl)Cl.ClC(Cl)(Cl)Cl
InChIInChI=1S/C2Cl6.CCl4/c3-1(4,5)2(6,7)8;2-1(3,4)5
InChIKeyVJMVAOZKFWUZCK-UHFFFAOYSA-N
MW390.56 g/mol
LogP6.28
Rot. Bonds

About 1,1,1,2,2,2-hexachloroethane;tetrachloromethane

1,1,1,2,2,2-hexachloroethane;tetrachloromethane (PubChem CID 87168985) has the molecular formula C3Cl10 and a molecular weight of 390.56 g/mol. Its IUPAC name is 1,1,1,2,2,2-hexachloroethane;tetrachloromethane.

Molecular Properties

Compound Name1,1,1,2,2,2-hexachloroethane;tetrachloromethane
PubChem CID87168985
Molecular FormulaC3Cl10
Molecular Weight390.56 g/mol
Exact Mass385.69
IUPAC Name1,1,1,2,2,2-hexachloroethane;tetrachloromethane
SMILESClC(Cl)(Cl)C(Cl)(Cl)Cl.ClC(Cl)(Cl)Cl
InChIInChI=1S/C2Cl6.CCl4/c3-1(4,5)2(6,7)8;2-1(3,4)5
InChIKeyVJMVAOZKFWUZCK-UHFFFAOYSA-N
XLogP6.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.56
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

tetrachloromethane;trihydrobromide
CID 172821605
tetrachloromethane;hexahydrofluoride
CID 172761965
tetrachloromethane;dihydrochloride
CID 139954008
potassium;tetrachloromethane;hydroxide
CID 159473553
barium(2+);tetrachloromethane;dichloride
CID 141230689
acetylene;tetrachloromethane
CID 19386607
methane;tetrachloromethane;dihydrochloride
CID 173442667
chloroethene;1,1,1,2,2,2-hexachloroethane
CID 160710284
aluminum;1,1,1,2,2,2-hexachloroethane;tetrafluorogermane;trichloride
CID 173132531
calcium;hydride;tetrachloromethane;hydrochloride
CID 173433489
dichloropalladium;tetrachloromethane
CID 175018701
1,1,2,3,4,4-hexachlorobuta-1,3-diene;1,1,1,2,2,2-hexachloroethane
CID 160669279

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,2-hexachloroethane;tetrachloromethane?
The IUPAC name of 1,1,1,2,2,2-hexachloroethane;tetrachloromethane (CID 87168985) is 1,1,1,2,2,2-hexachloroethane;tetrachloromethane.
What is the SMILES notation for 1,1,1,2,2,2-hexachloroethane;tetrachloromethane?
The canonical SMILES for 1,1,1,2,2,2-hexachloroethane;tetrachloromethane is ClC(Cl)(Cl)C(Cl)(Cl)Cl.ClC(Cl)(Cl)Cl.
What is the InChIKey of 1,1,1,2,2,2-hexachloroethane;tetrachloromethane?
The InChIKey is VJMVAOZKFWUZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C2Cl6.CCl4/c3-1(4,5)2(6,7)8;2-1(3,4)5.
What are the key properties of 1,1,1,2,2,2-hexachloroethane;tetrachloromethane?
1,1,1,2,2,2-hexachloroethane;tetrachloromethane has a molecular weight of 390.56 g/mol, XLogP of 6.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,2-hexachloroethane;tetrachloromethane is sourced from PubChem (CID 87168985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).