2-(iodomethyl)bicyclo[2.2.1]heptane

C8H13I — CID 53485214

IUPAC2-(iodomethyl)bicyclo[2.2.1]heptane
SMILESICC1CC2CCC1C2
InChIInChI=1S/C8H13I/c9-5-8-4-6-1-2-7(8)3-6/h6-8H,1-5H2
InChIKeyCVFNHQHHCQFJDT-UHFFFAOYSA-N
MW236.10 g/mol
LogP2.86
Rot. Bonds1

About 2-(iodomethyl)bicyclo[2.2.1]heptane

2-(iodomethyl)bicyclo[2.2.1]heptane (PubChem CID 53485214) has the molecular formula C8H13I and a molecular weight of 236.10 g/mol. Its IUPAC name is 2-(iodomethyl)bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(iodomethyl)bicyclo[2.2.1]heptane
PubChem CID53485214
Molecular FormulaC8H13I
Molecular Weight236.10 g/mol
Exact Mass236.01
IUPAC Name2-(iodomethyl)bicyclo[2.2.1]heptane
SMILESICC1CC2CCC1C2
InChIInChI=1S/C8H13I/c9-5-8-4-6-1-2-7(8)3-6/h6-8H,1-5H2
InChIKeyCVFNHQHHCQFJDT-UHFFFAOYSA-N
XLogP2.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.10
LogP ≤ 52.86
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 2-(iodomethyl)bicyclo[2.2.1]heptane?
The IUPAC name of 2-(iodomethyl)bicyclo[2.2.1]heptane (CID 53485214) is 2-(iodomethyl)bicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(iodomethyl)bicyclo[2.2.1]heptane?
The canonical SMILES for 2-(iodomethyl)bicyclo[2.2.1]heptane is ICC1CC2CCC1C2.
What is the InChIKey of 2-(iodomethyl)bicyclo[2.2.1]heptane?
The InChIKey is CVFNHQHHCQFJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13I/c9-5-8-4-6-1-2-7(8)3-6/h6-8H,1-5H2.
What are the key properties of 2-(iodomethyl)bicyclo[2.2.1]heptane?
2-(iodomethyl)bicyclo[2.2.1]heptane has a molecular weight of 236.10 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(iodomethyl)bicyclo[2.2.1]heptane is sourced from PubChem (CID 53485214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).