2-bromo-4,4,4-trichlorobut-1-ene

C4H4BrCl3 — CID 119095584

IUPAC2-bromo-4,4,4-trichlorobut-1-ene
SMILESC=C(Br)CC(Cl)(Cl)Cl
InChIInChI=1S/C4H4BrCl3/c1-3(5)2-4(6,7)8/h1-2H2
InChIKeyOPKSFVPOBUGYJY-UHFFFAOYSA-N
MW238.34 g/mol
LogP3.66
Rot. Bonds1

About 2-bromo-4,4,4-trichlorobut-1-ene

2-bromo-4,4,4-trichlorobut-1-ene (PubChem CID 119095584) has the molecular formula C4H4BrCl3 and a molecular weight of 238.34 g/mol. Its IUPAC name is 2-bromo-4,4,4-trichlorobut-1-ene.

Molecular Properties

Compound Name2-bromo-4,4,4-trichlorobut-1-ene
PubChem CID119095584
Molecular FormulaC4H4BrCl3
Molecular Weight238.34 g/mol
Exact Mass235.86
IUPAC Name2-bromo-4,4,4-trichlorobut-1-ene
SMILESC=C(Br)CC(Cl)(Cl)Cl
InChIInChI=1S/C4H4BrCl3/c1-3(5)2-4(6,7)8/h1-2H2
InChIKeyOPKSFVPOBUGYJY-UHFFFAOYSA-N
XLogP3.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.34
LogP ≤ 53.66
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

4-Bromo-4,4-dichlorobut-1-ene
CID 12634201
2-Bromo-3,3-dichlorobut-1-ene
CID 12836192

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,4,4-trichlorobut-1-ene?
The IUPAC name of 2-bromo-4,4,4-trichlorobut-1-ene (CID 119095584) is 2-bromo-4,4,4-trichlorobut-1-ene.
What is the SMILES notation for 2-bromo-4,4,4-trichlorobut-1-ene?
The canonical SMILES for 2-bromo-4,4,4-trichlorobut-1-ene is C=C(Br)CC(Cl)(Cl)Cl.
What is the InChIKey of 2-bromo-4,4,4-trichlorobut-1-ene?
The InChIKey is OPKSFVPOBUGYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4BrCl3/c1-3(5)2-4(6,7)8/h1-2H2.
What are the key properties of 2-bromo-4,4,4-trichlorobut-1-ene?
2-bromo-4,4,4-trichlorobut-1-ene has a molecular weight of 238.34 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,4,4-trichlorobut-1-ene is sourced from PubChem (CID 119095584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).