1,2-dibromoethane;1,2-dichloroethane;tetrachloromethane

C5H8Br2Cl6 — CID 3041329

IUPAC1,2-dibromoethane;1,2-dichloroethane;tetrachloromethane
SMILESBrCCBr.ClC(Cl)(Cl)Cl.ClCCCl
InChIInChI=1S/C2H4Br2.C2H4Cl2.CCl4/c2*3-1-2-4;2-1(3,4)5/h2*1-2H2;
InChIKeyQXGMFEYBTCJIFL-UHFFFAOYSA-N
MW440.65 g/mol
LogP5.79
Rot. Bonds2

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

1,2-dibromoethane;1,2-dichloroethane;tetrachloromethane (PubChem CID 3041329) has the molecular formula C5H8Br2Cl6 and a molecular weight of 440.65 g/mol. Its IUPAC name is 1,2-dibromoethane;1,2-dichloroethane;tetrachloromethane.

Molecular Properties

Compound Name1,2-dibromoethane;1,2-dichloroethane;tetrachloromethane
PubChem CID3041329
Molecular FormulaC5H8Br2Cl6
Molecular Weight440.65 g/mol
Exact Mass435.71
IUPAC Name1,2-dibromoethane;1,2-dichloroethane;tetrachloromethane
SMILESBrCCBr.ClC(Cl)(Cl)Cl.ClCCCl
InChIInChI=1S/C2H4Br2.C2H4Cl2.CCl4/c2*3-1-2-4;2-1(3,4)5/h2*1-2H2;
InChIKeyQXGMFEYBTCJIFL-UHFFFAOYSA-N
XLogP5.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.65
LogP ≤ 55.79
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

1,2-dibromoethane;1,1-dichloroethane;1,2-dichloroethane
CID 161263882
1,2-dibromoethane
CID 7839
1,2-dichloroethane;platinum
CID 159627340
(1,2-dichloroethane);(dichloromethane)
CID 173324905
1-bromo-1,1,3-trichloropropane
CID 14366603
1-bromo-7-chloroheptane
CID 11665662
magnesium;1,2-dichloroethane;hydride
CID 173326143
bromo(chloro)methane;hydrobromide
CID 174642403
1,1,1,2-tetrachloroethane
CID 12418
bromo(chloro)methane;dichloromethane
CID 88747563
chlorophosphane;1,2-dichloroethane
CID 174800831
1,7-dibromo-4,4-dichloroheptane
CID 154156689

Frequently Asked Questions

What is the IUPAC name of 1,2-dibromoethane;1,2-dichloroethane;tetrachloromethane?
The IUPAC name of 1,2-dibromoethane;1,2-dichloroethane;tetrachloromethane (CID 3041329) is 1,2-dibromoethane;1,2-dichloroethane;tetrachloromethane.
What is the SMILES notation for 1,2-dibromoethane;1,2-dichloroethane;tetrachloromethane?
The canonical SMILES for 1,2-dibromoethane;1,2-dichloroethane;tetrachloromethane is BrCCBr.ClC(Cl)(Cl)Cl.ClCCCl.
What is the InChIKey of 1,2-dibromoethane;1,2-dichloroethane;tetrachloromethane?
The InChIKey is QXGMFEYBTCJIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4Br2.C2H4Cl2.CCl4/c2*3-1-2-4;2-1(3,4)5/h2*1-2H2;.
What are the key properties of 1,2-dibromoethane;1,2-dichloroethane;tetrachloromethane?
1,2-dibromoethane;1,2-dichloroethane;tetrachloromethane has a molecular weight of 440.65 g/mol, XLogP of 5.79, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibromoethane;1,2-dichloroethane;tetrachloromethane is sourced from PubChem (CID 3041329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).