1,1,2-tribromoethane;1,1,2-trichloroethane

C4H6Br3Cl3 — CID 160766102

IUPAC1,1,2-tribromoethane;1,1,2-trichloroethane
SMILESBrCC(Br)Br.ClCC(Cl)Cl
InChIInChI=1S/C2H3Br3.C2H3Cl3/c2*3-1-2(4)5/h2*2H,1H2
InChIKeyRYRXYCKWTNZUFC-UHFFFAOYSA-N
MW400.16 g/mol
LogP4.53
Rot. Bonds2

About 1,1,2-tribromoethane;1,1,2-trichloroethane

1,1,2-tribromoethane;1,1,2-trichloroethane (PubChem CID 160766102) has the molecular formula C4H6Br3Cl3 and a molecular weight of 400.16 g/mol. Its IUPAC name is 1,1,2-tribromoethane;1,1,2-trichloroethane.

Molecular Properties

Compound Name1,1,2-tribromoethane;1,1,2-trichloroethane
PubChem CID160766102
Molecular FormulaC4H6Br3Cl3
Molecular Weight400.16 g/mol
Exact Mass395.71
IUPAC Name1,1,2-tribromoethane;1,1,2-trichloroethane
SMILESBrCC(Br)Br.ClCC(Cl)Cl
InChIInChI=1S/C2H3Br3.C2H3Cl3/c2*3-1-2(4)5/h2*2H,1H2
InChIKeyRYRXYCKWTNZUFC-UHFFFAOYSA-N
XLogP4.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.16
LogP ≤ 54.53
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 1,1,2-tribromoethane;1,1,2-trichloroethane?
The IUPAC name of 1,1,2-tribromoethane;1,1,2-trichloroethane (CID 160766102) is 1,1,2-tribromoethane;1,1,2-trichloroethane.
What is the SMILES notation for 1,1,2-tribromoethane;1,1,2-trichloroethane?
The canonical SMILES for 1,1,2-tribromoethane;1,1,2-trichloroethane is BrCC(Br)Br.ClCC(Cl)Cl.
What is the InChIKey of 1,1,2-tribromoethane;1,1,2-trichloroethane?
The InChIKey is RYRXYCKWTNZUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3Br3.C2H3Cl3/c2*3-1-2(4)5/h2*2H,1H2.
What are the key properties of 1,1,2-tribromoethane;1,1,2-trichloroethane?
1,1,2-tribromoethane;1,1,2-trichloroethane has a molecular weight of 400.16 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-tribromoethane;1,1,2-trichloroethane is sourced from PubChem (CID 160766102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).