benzene;1,1,1,2-tetrachloroethane

C8H8Cl4 — CID 163643099

IUPACbenzene;1,1,1,2-tetrachloroethane
SMILESClCC(Cl)(Cl)Cl.c1ccccc1
InChIInChI=1S/C6H6.C2H2Cl4/c1-2-4-6-5-3-1;3-1-2(4,5)6/h1-6H;1H2
InChIKeyIFYZXGPOTQAHFZ-UHFFFAOYSA-N
MW245.96 g/mol
LogP4.28
Rot. Bonds

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

benzene;1,1,1,2-tetrachloroethane (PubChem CID 163643099) has the molecular formula C8H8Cl4 and a molecular weight of 245.96 g/mol. Its IUPAC name is benzene;1,1,1,2-tetrachloroethane.

Molecular Properties

Compound Namebenzene;1,1,1,2-tetrachloroethane
PubChem CID163643099
Molecular FormulaC8H8Cl4
Molecular Weight245.96 g/mol
Exact Mass243.94
IUPAC Namebenzene;1,1,1,2-tetrachloroethane
SMILESClCC(Cl)(Cl)Cl.c1ccccc1
InChIInChI=1S/C6H6.C2H2Cl4/c1-2-4-6-5-3-1;3-1-2(4,5)6/h1-6H;1H2
InChIKeyIFYZXGPOTQAHFZ-UHFFFAOYSA-N
XLogP4.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
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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Related Compounds

1,1,1,2-tetrachloroethane
CID 12418
1,1,1,2-tetrachloroethane;1,2-xylene
CID 70567653
1,1,1,2-tetrachloroethane;1,1,2,2-tetrachloroethane
CID 23424235
1,1,1,2-tetrachloroethane;1,1,2-trichloro-1-fluoroethane
CID 88595352
1,4-dioxane;1,1,1,2-tetrachloroethane
CID 70486395
1-bromo-1,1,3-trichloropropane
CID 14366603
propan-2-one;1,1,1,2-tetrachloroethane
CID 19428789
[chloro(diphenyl)methyl]benzene;dichloromethane
CID 162037283
azane;benzene;chloroethane
CID 66632016
1,1,2-trichloroethanol
CID 14671512
1,1,2-trichloroethanol
CID 176909401
benzene;chloroform;dichloromethane
CID 158760544

Frequently Asked Questions

What is the IUPAC name of benzene;1,1,1,2-tetrachloroethane?
The IUPAC name of benzene;1,1,1,2-tetrachloroethane (CID 163643099) is benzene;1,1,1,2-tetrachloroethane.
What is the SMILES notation for benzene;1,1,1,2-tetrachloroethane?
The canonical SMILES for benzene;1,1,1,2-tetrachloroethane is ClCC(Cl)(Cl)Cl.c1ccccc1.
What is the InChIKey of benzene;1,1,1,2-tetrachloroethane?
The InChIKey is IFYZXGPOTQAHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C2H2Cl4/c1-2-4-6-5-3-1;3-1-2(4,5)6/h1-6H;1H2.
What are the key properties of benzene;1,1,1,2-tetrachloroethane?
benzene;1,1,1,2-tetrachloroethane has a molecular weight of 245.96 g/mol, XLogP of 4.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1,1,1,2-tetrachloroethane is sourced from PubChem (CID 163643099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).