(Z)-2-bromo-1,4-dichlorobut-2-ene

C4H5BrCl2 — CID 10910617

IUPAC(Z)-2-bromo-1,4-dichlorobut-2-ene
SMILESClC/C=C(\Br)CCl
InChIInChI=1S/C4H5BrCl2/c5-4(3-7)1-2-6/h1H,2-3H2/b4-1-
InChIKeyHWSPMTUHKZBASS-RJRFIUFISA-N
MW203.89 g/mol
LogP2.74
Rot. Bonds2

About (Z)-2-bromo-1,4-dichlorobut-2-ene

(Z)-2-bromo-1,4-dichlorobut-2-ene (PubChem CID 10910617) has the molecular formula C4H5BrCl2 and a molecular weight of 203.89 g/mol. Its IUPAC name is (Z)-2-bromo-1,4-dichlorobut-2-ene.

Molecular Properties

Compound Name(Z)-2-bromo-1,4-dichlorobut-2-ene
PubChem CID10910617
Molecular FormulaC4H5BrCl2
Molecular Weight203.89 g/mol
Exact Mass201.90
IUPAC Name(Z)-2-bromo-1,4-dichlorobut-2-ene
SMILESClC/C=C(\Br)CCl
InChIInChI=1S/C4H5BrCl2/c5-4(3-7)1-2-6/h1H,2-3H2/b4-1-
InChIKeyHWSPMTUHKZBASS-RJRFIUFISA-N
XLogP2.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.89
LogP ≤ 52.74
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 (Z)-2-bromo-1,4-dichlorobut-2-ene?
The IUPAC name of (Z)-2-bromo-1,4-dichlorobut-2-ene (CID 10910617) is (Z)-2-bromo-1,4-dichlorobut-2-ene.
What is the SMILES notation for (Z)-2-bromo-1,4-dichlorobut-2-ene?
The canonical SMILES for (Z)-2-bromo-1,4-dichlorobut-2-ene is ClC/C=C(\Br)CCl.
What is the InChIKey of (Z)-2-bromo-1,4-dichlorobut-2-ene?
The InChIKey is HWSPMTUHKZBASS-RJRFIUFISA-N. The full InChI is InChI=1S/C4H5BrCl2/c5-4(3-7)1-2-6/h1H,2-3H2/b4-1-.
What are the key properties of (Z)-2-bromo-1,4-dichlorobut-2-ene?
(Z)-2-bromo-1,4-dichlorobut-2-ene has a molecular weight of 203.89 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-bromo-1,4-dichlorobut-2-ene is sourced from PubChem (CID 10910617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).