1,1,1,2-tetrabromo-2-chloroethane

C2HBr4Cl — CID 3852894

IUPAC1,1,1,2-tetrabromo-2-chloroethane
SMILESClC(Br)C(Br)(Br)Br
InChIInChI=1S/C2HBr4Cl/c3-1(7)2(4,5)6/h1H
InChIKeyXYIRCCZRZGAHIH-UHFFFAOYSA-N
MW380.10 g/mol
LogP3.78
Rot. Bonds

About 1,1,1,2-tetrabromo-2-chloroethane

1,1,1,2-tetrabromo-2-chloroethane (PubChem CID 3852894) has the molecular formula C2HBr4Cl and a molecular weight of 380.10 g/mol. Its IUPAC name is 1,1,1,2-tetrabromo-2-chloroethane.

Molecular Properties

Compound Name1,1,1,2-tetrabromo-2-chloroethane
PubChem CID3852894
Molecular FormulaC2HBr4Cl
Molecular Weight380.10 g/mol
Exact Mass375.65
IUPAC Name1,1,1,2-tetrabromo-2-chloroethane
SMILESClC(Br)C(Br)(Br)Br
InChIInChI=1S/C2HBr4Cl/c3-1(7)2(4,5)6/h1H
InChIKeyXYIRCCZRZGAHIH-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.10
LogP ≤ 53.78
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 1,1,1,2-tetrabromo-2-chloroethane?
The IUPAC name of 1,1,1,2-tetrabromo-2-chloroethane (CID 3852894) is 1,1,1,2-tetrabromo-2-chloroethane.
What is the SMILES notation for 1,1,1,2-tetrabromo-2-chloroethane?
The canonical SMILES for 1,1,1,2-tetrabromo-2-chloroethane is ClC(Br)C(Br)(Br)Br.
What is the InChIKey of 1,1,1,2-tetrabromo-2-chloroethane?
The InChIKey is XYIRCCZRZGAHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HBr4Cl/c3-1(7)2(4,5)6/h1H.
What are the key properties of 1,1,1,2-tetrabromo-2-chloroethane?
1,1,1,2-tetrabromo-2-chloroethane has a molecular weight of 380.10 g/mol, XLogP of 3.78, 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-tetrabromo-2-chloroethane is sourced from PubChem (CID 3852894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).