(1R,2S,4R)-2-(iodomethyl)bicyclo[2.2.1]heptane

C8H13I — CID 98085317

IUPAC(1R,2S,4R)-2-(iodomethyl)bicyclo[2.2.1]heptane
SMILESIC[C@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C8H13I/c9-5-8-4-6-1-2-7(8)3-6/h6-8H,1-5H2/t6-,7-,8-/m1/s1
InChIKeyCVFNHQHHCQFJDT-BWZBUEFSSA-N
MW236.10 g/mol
LogP2.86
Rot. Bonds1

About (1R,2S,4R)-2-(iodomethyl)bicyclo[2.2.1]heptane

(1R,2S,4R)-2-(iodomethyl)bicyclo[2.2.1]heptane (PubChem CID 98085317) has the molecular formula C8H13I and a molecular weight of 236.10 g/mol. Its IUPAC name is (1R,2S,4R)-2-(iodomethyl)bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1R,2S,4R)-2-(iodomethyl)bicyclo[2.2.1]heptane
PubChem CID98085317
Molecular FormulaC8H13I
Molecular Weight236.10 g/mol
Exact Mass236.01
IUPAC Name(1R,2S,4R)-2-(iodomethyl)bicyclo[2.2.1]heptane
SMILESIC[C@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C8H13I/c9-5-8-4-6-1-2-7(8)3-6/h6-8H,1-5H2/t6-,7-,8-/m1/s1
InChIKeyCVFNHQHHCQFJDT-BWZBUEFSSA-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'}

Analyze (1R,2S,4R)-2-(iodomethyl)bicyclo[2.2.1]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,2S,4R)-2-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane
CID 54589598
(1S,2S,4R)-2-ethylbicyclo[2.2.1]heptane
CID 124524751
(1R,2S,4S)-2-(chloromethyl)bicyclo[2.2.1]heptane
CID 55301828
(1S,2S,4S)-2-(bromomethyl)bicyclo[2.2.1]heptane
CID 12625652
2-bicyclo[2.2.1]heptanylmethylphosphane
CID 58351251
2-ethylbicyclo[2.2.1]heptane;methane
CID 169189353
O-(2-bicyclo[2.2.1]heptanylmethyl)hydroxylamine;hydrochloride
CID 67132086
(2S)-2-propylbicyclo[2.2.1]heptane
CID 143719109
2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]ethanol
CID 14043124
N-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]cyclopropanamine
CID 51723135
N-[3-(2-bicyclo[2.2.1]heptanyl)propyl]-2-methylpropan-2-amine
CID 79563092
2-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylamino]ethanethiol
CID 129374501

Frequently Asked Questions

What is the IUPAC name of (1R,2S,4R)-2-(iodomethyl)bicyclo[2.2.1]heptane?
The IUPAC name of (1R,2S,4R)-2-(iodomethyl)bicyclo[2.2.1]heptane (CID 98085317) is (1R,2S,4R)-2-(iodomethyl)bicyclo[2.2.1]heptane.
What is the SMILES notation for (1R,2S,4R)-2-(iodomethyl)bicyclo[2.2.1]heptane?
The canonical SMILES for (1R,2S,4R)-2-(iodomethyl)bicyclo[2.2.1]heptane is IC[C@H]1C[C@@H]2CC[C@@H]1C2.
What is the InChIKey of (1R,2S,4R)-2-(iodomethyl)bicyclo[2.2.1]heptane?
The InChIKey is CVFNHQHHCQFJDT-BWZBUEFSSA-N. The full InChI is InChI=1S/C8H13I/c9-5-8-4-6-1-2-7(8)3-6/h6-8H,1-5H2/t6-,7-,8-/m1/s1.
What are the key properties of (1R,2S,4R)-2-(iodomethyl)bicyclo[2.2.1]heptane?
(1R,2S,4R)-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 (1R,2S,4R)-2-(iodomethyl)bicyclo[2.2.1]heptane is sourced from PubChem (CID 98085317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).