1,3-diiodocyclobutane

C4H6I2 — CID 522914

IUPAC1,3-diiodocyclobutane
SMILESIC1CC(I)C1
InChIInChI=1S/C4H6I2/c5-3-1-4(6)2-3/h3-4H,1-2H2
InChIKeyYHRNIJSEINOLJF-UHFFFAOYSA-N
MW307.90 g/mol
LogP2.39
Rot. Bonds

About 1,3-diiodocyclobutane

1,3-diiodocyclobutane (PubChem CID 522914) has the molecular formula C4H6I2 and a molecular weight of 307.90 g/mol. Its IUPAC name is 1,3-diiodocyclobutane.

Molecular Properties

Compound Name1,3-diiodocyclobutane
PubChem CID522914
Molecular FormulaC4H6I2
Molecular Weight307.90 g/mol
Exact Mass307.86
IUPAC Name1,3-diiodocyclobutane
SMILESIC1CC(I)C1
InChIInChI=1S/C4H6I2/c5-3-1-4(6)2-3/h3-4H,1-2H2
InChIKeyYHRNIJSEINOLJF-UHFFFAOYSA-N
XLogP2.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.90
LogP ≤ 52.39
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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Related Compounds

Iodocyclobutane
CID 12937200
1,1-Diiodocyclobutane
CID 12759981
1,2-Diiodocyclobutane
CID 23554281
(2S)-1,2-diiodocyclobutane
CID 88998868
1,1,2-Triiodocyclobutane
CID 91464151
(2R)-1,2-diiodocyclobutane
CID 117880959

Frequently Asked Questions

What is the IUPAC name of 1,3-diiodocyclobutane?
The IUPAC name of 1,3-diiodocyclobutane (CID 522914) is 1,3-diiodocyclobutane.
What is the SMILES notation for 1,3-diiodocyclobutane?
The canonical SMILES for 1,3-diiodocyclobutane is IC1CC(I)C1.
What is the InChIKey of 1,3-diiodocyclobutane?
The InChIKey is YHRNIJSEINOLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6I2/c5-3-1-4(6)2-3/h3-4H,1-2H2.
What are the key properties of 1,3-diiodocyclobutane?
1,3-diiodocyclobutane has a molecular weight of 307.90 g/mol, XLogP of 2.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diiodocyclobutane is sourced from PubChem (CID 522914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).