1,3,4,4-tetrachlorobut-1-ene

C4H4Cl4 — CID 71360116

IUPAC1,3,4,4-tetrachlorobut-1-ene
SMILESClC=CC(Cl)C(Cl)Cl
InChIInChI=1S/C4H4Cl4/c5-2-1-3(6)4(7)8/h1-4H
InChIKeyVOKPCIYQZYABPF-UHFFFAOYSA-N
MW193.89 g/mol
LogP3.15
Rot. Bonds2

About 1,3,4,4-tetrachlorobut-1-ene

1,3,4,4-tetrachlorobut-1-ene (PubChem CID 71360116) has the molecular formula C4H4Cl4 and a molecular weight of 193.89 g/mol. Its IUPAC name is 1,3,4,4-tetrachlorobut-1-ene.

Molecular Properties

Compound Name1,3,4,4-tetrachlorobut-1-ene
PubChem CID71360116
Molecular FormulaC4H4Cl4
Molecular Weight193.89 g/mol
Exact Mass191.91
IUPAC Name1,3,4,4-tetrachlorobut-1-ene
SMILESClC=CC(Cl)C(Cl)Cl
InChIInChI=1S/C4H4Cl4/c5-2-1-3(6)4(7)8/h1-4H
InChIKeyVOKPCIYQZYABPF-UHFFFAOYSA-N
XLogP3.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.89
LogP ≤ 53.15
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 1,3,4,4-tetrachlorobut-1-ene?
The IUPAC name of 1,3,4,4-tetrachlorobut-1-ene (CID 71360116) is 1,3,4,4-tetrachlorobut-1-ene.
What is the SMILES notation for 1,3,4,4-tetrachlorobut-1-ene?
The canonical SMILES for 1,3,4,4-tetrachlorobut-1-ene is ClC=CC(Cl)C(Cl)Cl.
What is the InChIKey of 1,3,4,4-tetrachlorobut-1-ene?
The InChIKey is VOKPCIYQZYABPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4Cl4/c5-2-1-3(6)4(7)8/h1-4H.
What are the key properties of 1,3,4,4-tetrachlorobut-1-ene?
1,3,4,4-tetrachlorobut-1-ene has a molecular weight of 193.89 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,4-tetrachlorobut-1-ene is sourced from PubChem (CID 71360116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).