1,2,3,4-tetrabromobutane

C4H6Br4 — CID 15221

IUPAC1,2,3,4-tetrabromobutane
SMILESBrCC(Br)C(Br)CBr
InChIInChI=1S/C4H6Br4/c5-1-3(7)4(8)2-6/h3-4H,1-2H2
InChIKeyHGRZLIGHKHRTRE-UHFFFAOYSA-N
MW373.71 g/mol
LogP3.30
Rot. Bonds3

About 1,2,3,4-tetrabromobutane

1,2,3,4-tetrabromobutane (PubChem CID 15221) has the molecular formula C4H6Br4 and a molecular weight of 373.71 g/mol. Its IUPAC name is 1,2,3,4-tetrabromobutane.

Molecular Properties

Compound Name1,2,3,4-tetrabromobutane
PubChem CID15221
Molecular FormulaC4H6Br4
Molecular Weight373.71 g/mol
Exact Mass369.72
IUPAC Name1,2,3,4-tetrabromobutane
SMILESBrCC(Br)C(Br)CBr
InChIInChI=1S/C4H6Br4/c5-1-3(7)4(8)2-6/h3-4H,1-2H2
InChIKeyHGRZLIGHKHRTRE-UHFFFAOYSA-N
XLogP3.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.71
LogP ≤ 53.30
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

1,2,3-Tribromopropane
CID 7279
1,2,2-Tribromobutane
CID 77246
1,2,2,3-Tetrabromopropane
CID 41044
1,1,1,3-Tetrabromopropane
CID 638095
1,1,2,3-Tetrabromopropane
CID 13454490
1,2,3-Tribromobutane
CID 102454
1,1,2-Tribromobutane
CID 107143
2,2,3-Tribromobutane
CID 112468
1,3,3,5-Tetrabromopentane
CID 21679093
1,1,3,3-Tetrabromopropane
CID 12669924
1,1,1,2-Tetrabromopropane
CID 13454488
1,1,2,2-Tetrabromopropane
CID 13454489

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrabromobutane?
The IUPAC name of 1,2,3,4-tetrabromobutane (CID 15221) is 1,2,3,4-tetrabromobutane.
What is the SMILES notation for 1,2,3,4-tetrabromobutane?
The canonical SMILES for 1,2,3,4-tetrabromobutane is BrCC(Br)C(Br)CBr.
What is the InChIKey of 1,2,3,4-tetrabromobutane?
The InChIKey is HGRZLIGHKHRTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6Br4/c5-1-3(7)4(8)2-6/h3-4H,1-2H2.
What are the key properties of 1,2,3,4-tetrabromobutane?
1,2,3,4-tetrabromobutane has a molecular weight of 373.71 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrabromobutane is sourced from PubChem (CID 15221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).