1-iodo-3-(iodomethyl)cyclobutane

C5H8I2 — CID 122661974

IUPAC1-iodo-3-(iodomethyl)cyclobutane
SMILESICC1CC(I)C1
InChIInChI=1S/C5H8I2/c6-3-4-1-5(7)2-4/h4-5H,1-3H2
InChIKeyYOUPFFHIRDHBAA-UHFFFAOYSA-N
MW321.93 g/mol
LogP2.63
Rot. Bonds1

About 1-iodo-3-(iodomethyl)cyclobutane

1-iodo-3-(iodomethyl)cyclobutane (PubChem CID 122661974) has the molecular formula C5H8I2 and a molecular weight of 321.93 g/mol. Its IUPAC name is 1-iodo-3-(iodomethyl)cyclobutane.

Molecular Properties

Compound Name1-iodo-3-(iodomethyl)cyclobutane
PubChem CID122661974
Molecular FormulaC5H8I2
Molecular Weight321.93 g/mol
Exact Mass321.87
IUPAC Name1-iodo-3-(iodomethyl)cyclobutane
SMILESICC1CC(I)C1
InChIInChI=1S/C5H8I2/c6-3-4-1-5(7)2-4/h4-5H,1-3H2
InChIKeyYOUPFFHIRDHBAA-UHFFFAOYSA-N
XLogP2.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.93
LogP ≤ 52.63
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-iodo-3-(iodomethyl)cyclobutane?
The IUPAC name of 1-iodo-3-(iodomethyl)cyclobutane (CID 122661974) is 1-iodo-3-(iodomethyl)cyclobutane.
What is the SMILES notation for 1-iodo-3-(iodomethyl)cyclobutane?
The canonical SMILES for 1-iodo-3-(iodomethyl)cyclobutane is ICC1CC(I)C1.
What is the InChIKey of 1-iodo-3-(iodomethyl)cyclobutane?
The InChIKey is YOUPFFHIRDHBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8I2/c6-3-4-1-5(7)2-4/h4-5H,1-3H2.
What are the key properties of 1-iodo-3-(iodomethyl)cyclobutane?
1-iodo-3-(iodomethyl)cyclobutane has a molecular weight of 321.93 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-3-(iodomethyl)cyclobutane is sourced from PubChem (CID 122661974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).