1,2-dibromoethane;1,1,1,2-tetrachloroethane;tetrachloromethane

C5H6Br2Cl8 — CID 160938047

IUPAC1,2-dibromoethane;1,1,1,2-tetrachloroethane;tetrachloromethane
SMILESBrCCBr.ClC(Cl)(Cl)Cl.ClCC(Cl)(Cl)Cl
InChIInChI=1S/C2H4Br2.C2H2Cl4.CCl4/c3-1-2-4;3-1-2(4,5)6;2-1(3,4)5/h1-2H2;1H2;
InChIKeySUDCOOFYDRHDDK-UHFFFAOYSA-N
MW509.54 g/mol
LogP6.92
Rot. Bonds1

About 1,2-dibromoethane;1,1,1,2-tetrachloroethane;tetrachloromethane

1,2-dibromoethane;1,1,1,2-tetrachloroethane;tetrachloromethane (PubChem CID 160938047) has the molecular formula C5H6Br2Cl8 and a molecular weight of 509.54 g/mol. Its IUPAC name is 1,2-dibromoethane;1,1,1,2-tetrachloroethane;tetrachloromethane.

Molecular Properties

Compound Name1,2-dibromoethane;1,1,1,2-tetrachloroethane;tetrachloromethane
PubChem CID160938047
Molecular FormulaC5H6Br2Cl8
Molecular Weight509.54 g/mol
Exact Mass503.63
IUPAC Name1,2-dibromoethane;1,1,1,2-tetrachloroethane;tetrachloromethane
SMILESBrCCBr.ClC(Cl)(Cl)Cl.ClCC(Cl)(Cl)Cl
InChIInChI=1S/C2H4Br2.C2H2Cl4.CCl4/c3-1-2-4;3-1-2(4,5)6;2-1(3,4)5/h1-2H2;1H2;
InChIKeySUDCOOFYDRHDDK-UHFFFAOYSA-N
XLogP6.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.54
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,2-dibromoethane;1,1,1,2-tetrachloroethane;tetrachloromethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2-dibromoethane;1,1,1,2-tetrachloroethane;tetrachloromethane?
The IUPAC name of 1,2-dibromoethane;1,1,1,2-tetrachloroethane;tetrachloromethane (CID 160938047) is 1,2-dibromoethane;1,1,1,2-tetrachloroethane;tetrachloromethane.
What is the SMILES notation for 1,2-dibromoethane;1,1,1,2-tetrachloroethane;tetrachloromethane?
The canonical SMILES for 1,2-dibromoethane;1,1,1,2-tetrachloroethane;tetrachloromethane is BrCCBr.ClC(Cl)(Cl)Cl.ClCC(Cl)(Cl)Cl.
What is the InChIKey of 1,2-dibromoethane;1,1,1,2-tetrachloroethane;tetrachloromethane?
The InChIKey is SUDCOOFYDRHDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4Br2.C2H2Cl4.CCl4/c3-1-2-4;3-1-2(4,5)6;2-1(3,4)5/h1-2H2;1H2;.
What are the key properties of 1,2-dibromoethane;1,1,1,2-tetrachloroethane;tetrachloromethane?
1,2-dibromoethane;1,1,1,2-tetrachloroethane;tetrachloromethane has a molecular weight of 509.54 g/mol, XLogP of 6.92, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibromoethane;1,1,1,2-tetrachloroethane;tetrachloromethane is sourced from PubChem (CID 160938047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).