benzyl(diiodo)-λ3-iodane

C7H7I3 — CID 140643667

IUPACbenzyl(diiodo)-λ3-iodane
SMILESII(I)Cc1ccccc1
InChIInChI=1S/C7H7I3/c8-10(9)6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyHTFAZQDXTUQSQM-UHFFFAOYSA-N
MW471.85 g/mol
LogP4.39
Rot. Bonds2

About benzyl(diiodo)-λ3-iodane

benzyl(diiodo)-λ3-iodane (PubChem CID 140643667) has the molecular formula C7H7I3 and a molecular weight of 471.85 g/mol. Its IUPAC name is benzyl(diiodo)-λ3-iodane.

Molecular Properties

Compound Namebenzyl(diiodo)-λ3-iodane
PubChem CID140643667
Molecular FormulaC7H7I3
Molecular Weight471.85 g/mol
Exact Mass471.77
IUPAC Namebenzyl(diiodo)-λ3-iodane
SMILESII(I)Cc1ccccc1
InChIInChI=1S/C7H7I3/c8-10(9)6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyHTFAZQDXTUQSQM-UHFFFAOYSA-N
XLogP4.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.85
LogP ≤ 54.39
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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Related Compounds

2-iodoethylbenzene;zinc
CID 70126598
benzene;2-phenylethylbenzene
CID 18982764
phenyl(113C)methylbenzene
CID 11194569
iodomethylbenzene;toluene
CID 160571748
sodium;hydride;iodomethylbenzene
CID 173496893
N-benzyl-N-methanidyl-1-phenylmethanamine
CID 20756684
hafnium;2-phenylethylbenzene
CID 173109801
N-benzyl-1-phenyl-N-silylmethanamine
CID 173404902
4-phenylbutylbenzene
CID 141301927
CID 123173649
CID 123173649
potassium;benzylbenzene;hydride
CID 173011788
benzylphosphanium chloride
CID 70121985

Frequently Asked Questions

What is the IUPAC name of benzyl(diiodo)-λ3-iodane?
The IUPAC name of benzyl(diiodo)-λ3-iodane (CID 140643667) is benzyl(diiodo)-λ3-iodane.
What is the SMILES notation for benzyl(diiodo)-λ3-iodane?
The canonical SMILES for benzyl(diiodo)-λ3-iodane is II(I)Cc1ccccc1.
What is the InChIKey of benzyl(diiodo)-λ3-iodane?
The InChIKey is HTFAZQDXTUQSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7I3/c8-10(9)6-7-4-2-1-3-5-7/h1-5H,6H2.
What are the key properties of benzyl(diiodo)-λ3-iodane?
benzyl(diiodo)-λ3-iodane has a molecular weight of 471.85 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl(diiodo)-λ3-iodane is sourced from PubChem (CID 140643667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).