2-(3-bromoprop-1-enyl)-5-iodofuran

C7H6BrIO — CID 169476773

IUPAC2-(3-bromoprop-1-enyl)-5-iodofuran
SMILESBrCC=Cc1ccc(I)o1
InChIInChI=1S/C7H6BrIO/c8-5-1-2-6-3-4-7(9)10-6/h1-4H,5H2
InChIKeyDSKLMAZCQUEOFQ-UHFFFAOYSA-N
MW312.93 g/mol
LogP3.29
Rot. Bonds2

About 2-(3-bromoprop-1-enyl)-5-iodofuran

2-(3-bromoprop-1-enyl)-5-iodofuran (PubChem CID 169476773) has the molecular formula C7H6BrIO and a molecular weight of 312.93 g/mol. Its IUPAC name is 2-(3-bromoprop-1-enyl)-5-iodofuran.

Molecular Properties

Compound Name2-(3-bromoprop-1-enyl)-5-iodofuran
PubChem CID169476773
Molecular FormulaC7H6BrIO
Molecular Weight312.93 g/mol
Exact Mass311.86
IUPAC Name2-(3-bromoprop-1-enyl)-5-iodofuran
SMILESBrCC=Cc1ccc(I)o1
InChIInChI=1S/C7H6BrIO/c8-5-1-2-6-3-4-7(9)10-6/h1-4H,5H2
InChIKeyDSKLMAZCQUEOFQ-UHFFFAOYSA-N
XLogP3.29
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.93
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2-(3-bromoprop-1-enyl)-5-iodofuran?
The IUPAC name of 2-(3-bromoprop-1-enyl)-5-iodofuran (CID 169476773) is 2-(3-bromoprop-1-enyl)-5-iodofuran.
What is the SMILES notation for 2-(3-bromoprop-1-enyl)-5-iodofuran?
The canonical SMILES for 2-(3-bromoprop-1-enyl)-5-iodofuran is BrCC=Cc1ccc(I)o1.
What is the InChIKey of 2-(3-bromoprop-1-enyl)-5-iodofuran?
The InChIKey is DSKLMAZCQUEOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrIO/c8-5-1-2-6-3-4-7(9)10-6/h1-4H,5H2.
What are the key properties of 2-(3-bromoprop-1-enyl)-5-iodofuran?
2-(3-bromoprop-1-enyl)-5-iodofuran has a molecular weight of 312.93 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoprop-1-enyl)-5-iodofuran is sourced from PubChem (CID 169476773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).