1-bromo-1-chloro-1-iodoethane

C2H3BrClI — CID 90333243

IUPAC1-bromo-1-chloro-1-iodoethane
SMILESCC(Cl)(Br)I
InChIInChI=1S/C2H3BrClI/c1-2(3,4)5/h1H3
InChIKeyOXTNZUMREJQNJD-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.73
Rot. Bonds

About 1-bromo-1-chloro-1-iodoethane

1-bromo-1-chloro-1-iodoethane (PubChem CID 90333243) has the molecular formula C2H3BrClI and a molecular weight of 269.31 g/mol. Its IUPAC name is 1-bromo-1-chloro-1-iodoethane.

Molecular Properties

Compound Name1-bromo-1-chloro-1-iodoethane
PubChem CID90333243
Molecular FormulaC2H3BrClI
Molecular Weight269.31 g/mol
Exact Mass267.82
IUPAC Name1-bromo-1-chloro-1-iodoethane
SMILESCC(Cl)(Br)I
InChIInChI=1S/C2H3BrClI/c1-2(3,4)5/h1H3
InChIKeyOXTNZUMREJQNJD-UHFFFAOYSA-N
XLogP2.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.73
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 1-bromo-1-chloro-1-iodoethane?
The IUPAC name of 1-bromo-1-chloro-1-iodoethane (CID 90333243) is 1-bromo-1-chloro-1-iodoethane.
What is the SMILES notation for 1-bromo-1-chloro-1-iodoethane?
The canonical SMILES for 1-bromo-1-chloro-1-iodoethane is CC(Cl)(Br)I.
What is the InChIKey of 1-bromo-1-chloro-1-iodoethane?
The InChIKey is OXTNZUMREJQNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3BrClI/c1-2(3,4)5/h1H3.
What are the key properties of 1-bromo-1-chloro-1-iodoethane?
1-bromo-1-chloro-1-iodoethane has a molecular weight of 269.31 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-1-chloro-1-iodoethane is sourced from PubChem (CID 90333243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).