6,7-diiodobicyclo[3.1.1]heptane

C7H10I2 — CID 14640068

IUPAC6,7-diiodobicyclo[3.1.1]heptane
SMILESIC1C2CCCC1C2I
InChIInChI=1S/C7H10I2/c8-6-4-2-1-3-5(6)7(4)9/h4-7H,1-3H2
InChIKeyLXTKUYCUSBEXHW-UHFFFAOYSA-N
MW347.97 g/mol
LogP3.02
Rot. Bonds

About 6,7-diiodobicyclo[3.1.1]heptane

6,7-diiodobicyclo[3.1.1]heptane (PubChem CID 14640068) has the molecular formula C7H10I2 and a molecular weight of 347.97 g/mol. Its IUPAC name is 6,7-diiodobicyclo[3.1.1]heptane.

Molecular Properties

Compound Name6,7-diiodobicyclo[3.1.1]heptane
PubChem CID14640068
Molecular FormulaC7H10I2
Molecular Weight347.97 g/mol
Exact Mass347.89
IUPAC Name6,7-diiodobicyclo[3.1.1]heptane
SMILESIC1C2CCCC1C2I
InChIInChI=1S/C7H10I2/c8-6-4-2-1-3-5(6)7(4)9/h4-7H,1-3H2
InChIKeyLXTKUYCUSBEXHW-UHFFFAOYSA-N
XLogP3.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.97
LogP ≤ 53.02
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 6,7-diiodobicyclo[3.1.1]heptane?
The IUPAC name of 6,7-diiodobicyclo[3.1.1]heptane (CID 14640068) is 6,7-diiodobicyclo[3.1.1]heptane.
What is the SMILES notation for 6,7-diiodobicyclo[3.1.1]heptane?
The canonical SMILES for 6,7-diiodobicyclo[3.1.1]heptane is IC1C2CCCC1C2I.
What is the InChIKey of 6,7-diiodobicyclo[3.1.1]heptane?
The InChIKey is LXTKUYCUSBEXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10I2/c8-6-4-2-1-3-5(6)7(4)9/h4-7H,1-3H2.
What are the key properties of 6,7-diiodobicyclo[3.1.1]heptane?
6,7-diiodobicyclo[3.1.1]heptane has a molecular weight of 347.97 g/mol, XLogP of 3.02, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-diiodobicyclo[3.1.1]heptane is sourced from PubChem (CID 14640068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).