3-bromoprop-1-ene;iodomethane

C4H8BrI — CID 174834999

IUPAC3-bromoprop-1-ene;iodomethane
SMILESC=CCBr.CI
InChIInChI=1S/C3H5Br.CH3I/c1-2-3-4;1-2/h2H,1,3H2;1H3
InChIKeyFKJAMTUTHPQQAI-UHFFFAOYSA-N
MW262.92 g/mol
LogP2.62
Rot. Bonds1

About 3-bromoprop-1-ene;iodomethane

3-bromoprop-1-ene;iodomethane (PubChem CID 174834999) has the molecular formula C4H8BrI and a molecular weight of 262.92 g/mol. Its IUPAC name is 3-bromoprop-1-ene;iodomethane.

Molecular Properties

Compound Name3-bromoprop-1-ene;iodomethane
PubChem CID174834999
Molecular FormulaC4H8BrI
Molecular Weight262.92 g/mol
Exact Mass261.89
IUPAC Name3-bromoprop-1-ene;iodomethane
SMILESC=CCBr.CI
InChIInChI=1S/C3H5Br.CH3I/c1-2-3-4;1-2/h2H,1,3H2;1H3
InChIKeyFKJAMTUTHPQQAI-UHFFFAOYSA-N
XLogP2.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.92
LogP ≤ 52.62
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromoprop-1-ene;iodomethane?
The IUPAC name of 3-bromoprop-1-ene;iodomethane (CID 174834999) is 3-bromoprop-1-ene;iodomethane.
What is the SMILES notation for 3-bromoprop-1-ene;iodomethane?
The canonical SMILES for 3-bromoprop-1-ene;iodomethane is C=CCBr.CI.
What is the InChIKey of 3-bromoprop-1-ene;iodomethane?
The InChIKey is FKJAMTUTHPQQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5Br.CH3I/c1-2-3-4;1-2/h2H,1,3H2;1H3.
What are the key properties of 3-bromoprop-1-ene;iodomethane?
3-bromoprop-1-ene;iodomethane has a molecular weight of 262.92 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromoprop-1-ene;iodomethane is sourced from PubChem (CID 174834999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).