1,1,2-tribromo-4-chlorobut-2-ene

C4H4Br3Cl — CID 173409525

IUPAC1,1,2-tribromo-4-chlorobut-2-ene
SMILESClCC=C(Br)C(Br)Br
InChIInChI=1S/C4H4Br3Cl/c5-3(1-2-8)4(6)7/h1,4H,2H2
InChIKeyNHHFQNTYNJAPPH-UHFFFAOYSA-N
MW327.24 g/mol
LogP3.62
Rot. Bonds2

About 1,1,2-tribromo-4-chlorobut-2-ene

1,1,2-tribromo-4-chlorobut-2-ene (PubChem CID 173409525) has the molecular formula C4H4Br3Cl and a molecular weight of 327.24 g/mol. Its IUPAC name is 1,1,2-tribromo-4-chlorobut-2-ene.

Molecular Properties

Compound Name1,1,2-tribromo-4-chlorobut-2-ene
PubChem CID173409525
Molecular FormulaC4H4Br3Cl
Molecular Weight327.24 g/mol
Exact Mass323.76
IUPAC Name1,1,2-tribromo-4-chlorobut-2-ene
SMILESClCC=C(Br)C(Br)Br
InChIInChI=1S/C4H4Br3Cl/c5-3(1-2-8)4(6)7/h1,4H,2H2
InChIKeyNHHFQNTYNJAPPH-UHFFFAOYSA-N
XLogP3.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.24
LogP ≤ 53.62
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 1,1,2-tribromo-4-chlorobut-2-ene?
The IUPAC name of 1,1,2-tribromo-4-chlorobut-2-ene (CID 173409525) is 1,1,2-tribromo-4-chlorobut-2-ene.
What is the SMILES notation for 1,1,2-tribromo-4-chlorobut-2-ene?
The canonical SMILES for 1,1,2-tribromo-4-chlorobut-2-ene is ClCC=C(Br)C(Br)Br.
What is the InChIKey of 1,1,2-tribromo-4-chlorobut-2-ene?
The InChIKey is NHHFQNTYNJAPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4Br3Cl/c5-3(1-2-8)4(6)7/h1,4H,2H2.
What are the key properties of 1,1,2-tribromo-4-chlorobut-2-ene?
1,1,2-tribromo-4-chlorobut-2-ene has a molecular weight of 327.24 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-tribromo-4-chlorobut-2-ene is sourced from PubChem (CID 173409525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).