1,2,3,4-tetrachlorobut-1-ene

C4H4Cl4 — CID 57121669

IUPAC1,2,3,4-tetrachlorobut-1-ene
SMILESClC=C(Cl)C(Cl)CCl
InChIInChI=1S/C4H4Cl4/c5-1-3(7)4(8)2-6/h1,4H,2H2
InChIKeyFYVMRZWTIIZOIU-UHFFFAOYSA-N
MW193.89 g/mol
LogP3.15
Rot. Bonds2

About 1,2,3,4-tetrachlorobut-1-ene

1,2,3,4-tetrachlorobut-1-ene (PubChem CID 57121669) has the molecular formula C4H4Cl4 and a molecular weight of 193.89 g/mol. Its IUPAC name is 1,2,3,4-tetrachlorobut-1-ene.

Molecular Properties

Compound Name1,2,3,4-tetrachlorobut-1-ene
PubChem CID57121669
Molecular FormulaC4H4Cl4
Molecular Weight193.89 g/mol
Exact Mass191.91
IUPAC Name1,2,3,4-tetrachlorobut-1-ene
SMILESClC=C(Cl)C(Cl)CCl
InChIInChI=1S/C4H4Cl4/c5-1-3(7)4(8)2-6/h1,4H,2H2
InChIKeyFYVMRZWTIIZOIU-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 1,2,3,4-tetrachlorobut-1-ene?
The IUPAC name of 1,2,3,4-tetrachlorobut-1-ene (CID 57121669) is 1,2,3,4-tetrachlorobut-1-ene.
What is the SMILES notation for 1,2,3,4-tetrachlorobut-1-ene?
The canonical SMILES for 1,2,3,4-tetrachlorobut-1-ene is ClC=C(Cl)C(Cl)CCl.
What is the InChIKey of 1,2,3,4-tetrachlorobut-1-ene?
The InChIKey is FYVMRZWTIIZOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4Cl4/c5-1-3(7)4(8)2-6/h1,4H,2H2.
What are the key properties of 1,2,3,4-tetrachlorobut-1-ene?
1,2,3,4-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 1,2,3,4-tetrachlorobut-1-ene is sourced from PubChem (CID 57121669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).