1,1-dibromo-1,2,3,4-tetrachlorobutane

C4H4Br2Cl4 — CID 22078459

IUPAC1,1-dibromo-1,2,3,4-tetrachlorobutane
SMILESClCC(Cl)C(Cl)C(Cl)(Br)Br
InChIInChI=1S/C4H4Br2Cl4/c5-4(6,10)3(9)2(8)1-7/h2-3H,1H2
InChIKeyKTVZWLWZDFQKLB-UHFFFAOYSA-N
MW353.70 g/mol
LogP4.12
Rot. Bonds3

About 1,1-dibromo-1,2,3,4-tetrachlorobutane

1,1-dibromo-1,2,3,4-tetrachlorobutane (PubChem CID 22078459) has the molecular formula C4H4Br2Cl4 and a molecular weight of 353.70 g/mol. Its IUPAC name is 1,1-dibromo-1,2,3,4-tetrachlorobutane.

Molecular Properties

Compound Name1,1-dibromo-1,2,3,4-tetrachlorobutane
PubChem CID22078459
Molecular FormulaC4H4Br2Cl4
Molecular Weight353.70 g/mol
Exact Mass349.74
IUPAC Name1,1-dibromo-1,2,3,4-tetrachlorobutane
SMILESClCC(Cl)C(Cl)C(Cl)(Br)Br
InChIInChI=1S/C4H4Br2Cl4/c5-4(6,10)3(9)2(8)1-7/h2-3H,1H2
InChIKeyKTVZWLWZDFQKLB-UHFFFAOYSA-N
XLogP4.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.70
LogP ≤ 54.12
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-dibromo-1,2,3,4-tetrachlorobutane?
The IUPAC name of 1,1-dibromo-1,2,3,4-tetrachlorobutane (CID 22078459) is 1,1-dibromo-1,2,3,4-tetrachlorobutane.
What is the SMILES notation for 1,1-dibromo-1,2,3,4-tetrachlorobutane?
The canonical SMILES for 1,1-dibromo-1,2,3,4-tetrachlorobutane is ClCC(Cl)C(Cl)C(Cl)(Br)Br.
What is the InChIKey of 1,1-dibromo-1,2,3,4-tetrachlorobutane?
The InChIKey is KTVZWLWZDFQKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4Br2Cl4/c5-4(6,10)3(9)2(8)1-7/h2-3H,1H2.
What are the key properties of 1,1-dibromo-1,2,3,4-tetrachlorobutane?
1,1-dibromo-1,2,3,4-tetrachlorobutane has a molecular weight of 353.70 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibromo-1,2,3,4-tetrachlorobutane is sourced from PubChem (CID 22078459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).