1,1,2-triiodocyclobutane

C4H5I3 — CID 91464151

IUPAC1,1,2-triiodocyclobutane
SMILESIC1CCC1(I)I
InChIInChI=1S/C4H5I3/c5-3-1-2-4(3,6)7/h3H,1-2H2
InChIKeyLMLVFWVVOCQTTJ-UHFFFAOYSA-N
MW433.80 g/mol
LogP3.15
Rot. Bonds

About 1,1,2-triiodocyclobutane

1,1,2-triiodocyclobutane (PubChem CID 91464151) has the molecular formula C4H5I3 and a molecular weight of 433.80 g/mol. Its IUPAC name is 1,1,2-triiodocyclobutane.

Molecular Properties

Compound Name1,1,2-triiodocyclobutane
PubChem CID91464151
Molecular FormulaC4H5I3
Molecular Weight433.80 g/mol
Exact Mass433.75
IUPAC Name1,1,2-triiodocyclobutane
SMILESIC1CCC1(I)I
InChIInChI=1S/C4H5I3/c5-3-1-2-4(3,6)7/h3H,1-2H2
InChIKeyLMLVFWVVOCQTTJ-UHFFFAOYSA-N
XLogP3.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.80
LogP ≤ 53.15
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-triiodocyclobutane?
The IUPAC name of 1,1,2-triiodocyclobutane (CID 91464151) is 1,1,2-triiodocyclobutane.
What is the SMILES notation for 1,1,2-triiodocyclobutane?
The canonical SMILES for 1,1,2-triiodocyclobutane is IC1CCC1(I)I.
What is the InChIKey of 1,1,2-triiodocyclobutane?
The InChIKey is LMLVFWVVOCQTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5I3/c5-3-1-2-4(3,6)7/h3H,1-2H2.
What are the key properties of 1,1,2-triiodocyclobutane?
1,1,2-triiodocyclobutane has a molecular weight of 433.80 g/mol, XLogP of 3.15, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-triiodocyclobutane is sourced from PubChem (CID 91464151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).