1-iodobicyclo[3.1.1]heptane

C7H11I — CID 153107935

IUPAC1-iodobicyclo[3.1.1]heptane
SMILESIC12CCCC(C1)C2
InChIInChI=1S/C7H11I/c8-7-3-1-2-6(4-7)5-7/h6H,1-5H2
InChIKeyVSIUPBDZZDSUEZ-UHFFFAOYSA-N
MW222.07 g/mol
LogP2.75
Rot. Bonds

About 1-iodobicyclo[3.1.1]heptane

1-iodobicyclo[3.1.1]heptane (PubChem CID 153107935) has the molecular formula C7H11I and a molecular weight of 222.07 g/mol. Its IUPAC name is 1-iodobicyclo[3.1.1]heptane.

Molecular Properties

Compound Name1-iodobicyclo[3.1.1]heptane
PubChem CID153107935
Molecular FormulaC7H11I
Molecular Weight222.07 g/mol
Exact Mass221.99
IUPAC Name1-iodobicyclo[3.1.1]heptane
SMILESIC12CCCC(C1)C2
InChIInChI=1S/C7H11I/c8-7-3-1-2-6(4-7)5-7/h6H,1-5H2
InChIKeyVSIUPBDZZDSUEZ-UHFFFAOYSA-N
XLogP2.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.07
LogP ≤ 52.75
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-iodobicyclo[3.1.1]heptane?
The IUPAC name of 1-iodobicyclo[3.1.1]heptane (CID 153107935) is 1-iodobicyclo[3.1.1]heptane.
What is the SMILES notation for 1-iodobicyclo[3.1.1]heptane?
The canonical SMILES for 1-iodobicyclo[3.1.1]heptane is IC12CCCC(C1)C2.
What is the InChIKey of 1-iodobicyclo[3.1.1]heptane?
The InChIKey is VSIUPBDZZDSUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11I/c8-7-3-1-2-6(4-7)5-7/h6H,1-5H2.
What are the key properties of 1-iodobicyclo[3.1.1]heptane?
1-iodobicyclo[3.1.1]heptane has a molecular weight of 222.07 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodobicyclo[3.1.1]heptane is sourced from PubChem (CID 153107935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).