1,1,2-triiodoethane

C2H3I3 — CID 15250470

IUPAC1,1,2-triiodoethane
SMILESICC(I)I
InChIInChI=1S/C2H3I3/c3-1-2(4)5/h2H,1H2
InChIKeyLSZGWUKFJAIAEM-UHFFFAOYSA-N
MW407.76 g/mol
LogP2.62
Rot. Bonds1

About 1,1,2-triiodoethane

1,1,2-triiodoethane (PubChem CID 15250470) has the molecular formula C2H3I3 and a molecular weight of 407.76 g/mol. Its IUPAC name is 1,1,2-triiodoethane.

Molecular Properties

Compound Name1,1,2-triiodoethane
PubChem CID15250470
Molecular FormulaC2H3I3
Molecular Weight407.76 g/mol
Exact Mass407.74
IUPAC Name1,1,2-triiodoethane
SMILESICC(I)I
InChIInChI=1S/C2H3I3/c3-1-2(4)5/h2H,1H2
InChIKeyLSZGWUKFJAIAEM-UHFFFAOYSA-N
XLogP2.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.76
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'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,2-triiodoethane?
The IUPAC name of 1,1,2-triiodoethane (CID 15250470) is 1,1,2-triiodoethane.
What is the SMILES notation for 1,1,2-triiodoethane?
The canonical SMILES for 1,1,2-triiodoethane is ICC(I)I.
What is the InChIKey of 1,1,2-triiodoethane?
The InChIKey is LSZGWUKFJAIAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3I3/c3-1-2(4)5/h2H,1H2.
What are the key properties of 1,1,2-triiodoethane?
1,1,2-triiodoethane has a molecular weight of 407.76 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 1,1,2-triiodoethane is sourced from PubChem (CID 15250470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).