1,1-diiodocyclobutane

C4H6I2 — CID 12759981

IUPAC1,1-diiodocyclobutane
SMILESIC1(I)CCC1
InChIInChI=1S/C4H6I2/c5-4(6)2-1-3-4/h1-3H2
InChIKeyIZGYQXVVFFZVEF-UHFFFAOYSA-N
MW307.90 g/mol
LogP2.74
Rot. Bonds

About 1,1-diiodocyclobutane

1,1-diiodocyclobutane (PubChem CID 12759981) has the molecular formula C4H6I2 and a molecular weight of 307.90 g/mol. Its IUPAC name is 1,1-diiodocyclobutane.

Molecular Properties

Compound Name1,1-diiodocyclobutane
PubChem CID12759981
Molecular FormulaC4H6I2
Molecular Weight307.90 g/mol
Exact Mass307.86
IUPAC Name1,1-diiodocyclobutane
SMILESIC1(I)CCC1
InChIInChI=1S/C4H6I2/c5-4(6)2-1-3-4/h1-3H2
InChIKeyIZGYQXVVFFZVEF-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
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-diiodocyclobutane?
The IUPAC name of 1,1-diiodocyclobutane (CID 12759981) is 1,1-diiodocyclobutane.
What is the SMILES notation for 1,1-diiodocyclobutane?
The canonical SMILES for 1,1-diiodocyclobutane is IC1(I)CCC1.
What is the InChIKey of 1,1-diiodocyclobutane?
The InChIKey is IZGYQXVVFFZVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6I2/c5-4(6)2-1-3-4/h1-3H2.
What are the key properties of 1,1-diiodocyclobutane?
1,1-diiodocyclobutane has a molecular weight of 307.90 g/mol, XLogP of 2.74, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diiodocyclobutane is sourced from PubChem (CID 12759981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).