2,3-diiodobicyclo[2.1.1]hex-2-ene

C6H6I2 — CID 11461706

IUPAC2,3-diiodobicyclo[2.1.1]hex-2-ene
SMILESIC1=C(I)C2CC1C2
InChIInChI=1S/C6H6I2/c7-5-3-1-4(2-3)6(5)8/h3-4H,1-2H2
InChIKeyHYXPVBMVKFTBHW-UHFFFAOYSA-N
MW331.92 g/mol
LogP3.11
Rot. Bonds

About 2,3-diiodobicyclo[2.1.1]hex-2-ene

2,3-diiodobicyclo[2.1.1]hex-2-ene (PubChem CID 11461706) has the molecular formula C6H6I2 and a molecular weight of 331.92 g/mol. Its IUPAC name is 2,3-diiodobicyclo[2.1.1]hex-2-ene.

Molecular Properties

Compound Name2,3-diiodobicyclo[2.1.1]hex-2-ene
PubChem CID11461706
Molecular FormulaC6H6I2
Molecular Weight331.92 g/mol
Exact Mass331.86
IUPAC Name2,3-diiodobicyclo[2.1.1]hex-2-ene
SMILESIC1=C(I)C2CC1C2
InChIInChI=1S/C6H6I2/c7-5-3-1-4(2-3)6(5)8/h3-4H,1-2H2
InChIKeyHYXPVBMVKFTBHW-UHFFFAOYSA-N
XLogP3.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.92
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-diiodobicyclo[2.1.1]hex-2-ene?
The IUPAC name of 2,3-diiodobicyclo[2.1.1]hex-2-ene (CID 11461706) is 2,3-diiodobicyclo[2.1.1]hex-2-ene.
What is the SMILES notation for 2,3-diiodobicyclo[2.1.1]hex-2-ene?
The canonical SMILES for 2,3-diiodobicyclo[2.1.1]hex-2-ene is IC1=C(I)C2CC1C2.
What is the InChIKey of 2,3-diiodobicyclo[2.1.1]hex-2-ene?
The InChIKey is HYXPVBMVKFTBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6I2/c7-5-3-1-4(2-3)6(5)8/h3-4H,1-2H2.
What are the key properties of 2,3-diiodobicyclo[2.1.1]hex-2-ene?
2,3-diiodobicyclo[2.1.1]hex-2-ene has a molecular weight of 331.92 g/mol, XLogP of 3.11, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diiodobicyclo[2.1.1]hex-2-ene is sourced from PubChem (CID 11461706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).