iodocyclobutane

C4H7I — CID 12937200

IUPACiodocyclobutane
SMILESIC1CCC1
InChIInChI=1S/C4H7I/c5-4-2-1-3-4/h4H,1-3H2
InChIKeyDXVOSTCYXXRQEW-UHFFFAOYSA-N
MW182.00 g/mol
LogP1.97
Rot. Bonds

About iodocyclobutane

iodocyclobutane (PubChem CID 12937200) has the molecular formula C4H7I and a molecular weight of 182.00 g/mol. Its IUPAC name is iodocyclobutane.

Molecular Properties

Compound Nameiodocyclobutane
PubChem CID12937200
Molecular FormulaC4H7I
Molecular Weight182.00 g/mol
Exact Mass181.96
IUPAC Nameiodocyclobutane
SMILESIC1CCC1
InChIInChI=1S/C4H7I/c5-4-2-1-3-4/h4H,1-3H2
InChIKeyDXVOSTCYXXRQEW-UHFFFAOYSA-N
XLogP1.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.00
LogP ≤ 51.97
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 iodocyclobutane?
The IUPAC name of iodocyclobutane (CID 12937200) is iodocyclobutane.
What is the SMILES notation for iodocyclobutane?
The canonical SMILES for iodocyclobutane is IC1CCC1.
What is the InChIKey of iodocyclobutane?
The InChIKey is DXVOSTCYXXRQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7I/c5-4-2-1-3-4/h4H,1-3H2.
What are the key properties of iodocyclobutane?
iodocyclobutane has a molecular weight of 182.00 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for iodocyclobutane is sourced from PubChem (CID 12937200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).