Oxidative fluorination with Selectfluor: A convenient procedure for preparing hypervalent iodine(V) fluorides

Samuel M. G. Dearman, Xiang Li, Yang Li, Kuldip Singh and Alison M. Stuart
Beilstein J. Org. Chem. 2024, 20, 1785–1793. https://doi.org/10.3762/bjoc.20.157

Chemical Information

Calculated using the Chemistry Development Kit 2.12
Molecular Formula C9H5F6IO
Molecular Weight 370.03 g/mol
Exact Mass 369.9289 Da
InChI
InChI=1S/C9H5F6IO/c10-8(11,12)7(17,9(13,14)15)5-3-1-2-4-6(5)16/h1-4,17H
InChIKey
MBIFXRHRQZBUNV-UHFFFAOYSA-N
SMILES
C1=CC(=C(C=C1)I)C(C(F)(F)F)(C(F)(F)F)O
Number of Atoms 22
Number of H-Bond Acceptors 1
Number of H-Bond Donors 1
Atoms in the Largest π-System 6
XLogP 3.8
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