(E)-1-bromo-3-iodoprop-1-ene

C3H4BrI — CID 12046677

IUPAC(E)-1-bromo-3-iodoprop-1-ene
SMILESBr/C=C/CI
InChIInChI=1S/C3H4BrI/c4-2-1-3-5/h1-2H,3H2/b2-1+
InChIKeyARDKBXUVCJOLBO-OWOJBTEDSA-N
MW246.87 g/mol
LogP2.33
Rot. Bonds1

About (E)-1-bromo-3-iodoprop-1-ene

(E)-1-bromo-3-iodoprop-1-ene (PubChem CID 12046677) has the molecular formula C3H4BrI and a molecular weight of 246.87 g/mol. Its IUPAC name is (E)-1-bromo-3-iodoprop-1-ene.

Molecular Properties

Compound Name(E)-1-bromo-3-iodoprop-1-ene
PubChem CID12046677
Molecular FormulaC3H4BrI
Molecular Weight246.87 g/mol
Exact Mass245.85
IUPAC Name(E)-1-bromo-3-iodoprop-1-ene
SMILESBr/C=C/CI
InChIInChI=1S/C3H4BrI/c4-2-1-3-5/h1-2H,3H2/b2-1+
InChIKeyARDKBXUVCJOLBO-OWOJBTEDSA-N
XLogP2.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.87
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-bromo-3-iodoprop-1-ene?
The IUPAC name of (E)-1-bromo-3-iodoprop-1-ene (CID 12046677) is (E)-1-bromo-3-iodoprop-1-ene.
What is the SMILES notation for (E)-1-bromo-3-iodoprop-1-ene?
The canonical SMILES for (E)-1-bromo-3-iodoprop-1-ene is Br/C=C/CI.
What is the InChIKey of (E)-1-bromo-3-iodoprop-1-ene?
The InChIKey is ARDKBXUVCJOLBO-OWOJBTEDSA-N. The full InChI is InChI=1S/C3H4BrI/c4-2-1-3-5/h1-2H,3H2/b2-1+.
What are the key properties of (E)-1-bromo-3-iodoprop-1-ene?
(E)-1-bromo-3-iodoprop-1-ene has a molecular weight of 246.87 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-bromo-3-iodoprop-1-ene is sourced from PubChem (CID 12046677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).