1,2,3-triiodocyclopentane

C5H7I3 — CID 122583562

IUPAC1,2,3-triiodocyclopentane
SMILESIC1CCC(I)C1I
InChIInChI=1S/C5H7I3/c6-3-1-2-4(7)5(3)8/h3-5H,1-2H2
InChIKeyPPHXVPMSQGDBFA-UHFFFAOYSA-N
MW447.82 g/mol
LogP3.19
Rot. Bonds

About 1,2,3-triiodocyclopentane

1,2,3-triiodocyclopentane (PubChem CID 122583562) has the molecular formula C5H7I3 and a molecular weight of 447.82 g/mol. Its IUPAC name is 1,2,3-triiodocyclopentane.

Molecular Properties

Compound Name1,2,3-triiodocyclopentane
PubChem CID122583562
Molecular FormulaC5H7I3
Molecular Weight447.82 g/mol
Exact Mass447.77
IUPAC Name1,2,3-triiodocyclopentane
SMILESIC1CCC(I)C1I
InChIInChI=1S/C5H7I3/c6-3-1-2-4(7)5(3)8/h3-5H,1-2H2
InChIKeyPPHXVPMSQGDBFA-UHFFFAOYSA-N
XLogP3.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.82
LogP ≤ 53.19
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 1,2,3-triiodocyclopentane?
The IUPAC name of 1,2,3-triiodocyclopentane (CID 122583562) is 1,2,3-triiodocyclopentane.
What is the SMILES notation for 1,2,3-triiodocyclopentane?
The canonical SMILES for 1,2,3-triiodocyclopentane is IC1CCC(I)C1I.
What is the InChIKey of 1,2,3-triiodocyclopentane?
The InChIKey is PPHXVPMSQGDBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7I3/c6-3-1-2-4(7)5(3)8/h3-5H,1-2H2.
What are the key properties of 1,2,3-triiodocyclopentane?
1,2,3-triiodocyclopentane has a molecular weight of 447.82 g/mol, XLogP of 3.19, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-triiodocyclopentane is sourced from PubChem (CID 122583562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).