1,1-dibromo-3,4-dichlorobutane

C4H6Br2Cl2 — CID 54522794

IUPAC1,1-dibromo-3,4-dichlorobutane
SMILESClCC(Cl)CC(Br)Br
InChIInChI=1S/C4H6Br2Cl2/c5-4(6)1-3(8)2-7/h3-4H,1-2H2
InChIKeyVBWKXYKGWRMOSF-UHFFFAOYSA-N
MW284.81 g/mol
LogP3.34
Rot. Bonds3

About 1,1-dibromo-3,4-dichlorobutane

1,1-dibromo-3,4-dichlorobutane (PubChem CID 54522794) has the molecular formula C4H6Br2Cl2 and a molecular weight of 284.81 g/mol. Its IUPAC name is 1,1-dibromo-3,4-dichlorobutane.

Molecular Properties

Compound Name1,1-dibromo-3,4-dichlorobutane
PubChem CID54522794
Molecular FormulaC4H6Br2Cl2
Molecular Weight284.81 g/mol
Exact Mass281.82
IUPAC Name1,1-dibromo-3,4-dichlorobutane
SMILESClCC(Cl)CC(Br)Br
InChIInChI=1S/C4H6Br2Cl2/c5-4(6)1-3(8)2-7/h3-4H,1-2H2
InChIKeyVBWKXYKGWRMOSF-UHFFFAOYSA-N
XLogP3.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 53.34
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-3,4-dichlorobutane?
The IUPAC name of 1,1-dibromo-3,4-dichlorobutane (CID 54522794) is 1,1-dibromo-3,4-dichlorobutane.
What is the SMILES notation for 1,1-dibromo-3,4-dichlorobutane?
The canonical SMILES for 1,1-dibromo-3,4-dichlorobutane is ClCC(Cl)CC(Br)Br.
What is the InChIKey of 1,1-dibromo-3,4-dichlorobutane?
The InChIKey is VBWKXYKGWRMOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6Br2Cl2/c5-4(6)1-3(8)2-7/h3-4H,1-2H2.
What are the key properties of 1,1-dibromo-3,4-dichlorobutane?
1,1-dibromo-3,4-dichlorobutane has a molecular weight of 284.81 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibromo-3,4-dichlorobutane is sourced from PubChem (CID 54522794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).