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 C9H10FIO
Molecular Weight 280.08 g/mol
Exact Mass 279.9760 Da
InChI
InChI=1S/C9H10FIO/c1-9(2)7-5-3-4-6-8(7)11(10)12-9/h3-6H,1-2H3
InChIKey
FISITPXJYDTLHI-UHFFFAOYSA-N
SMILES
CC1(C)C2=C(C=CC=C2)I(F)O1
Number of Atoms 22
Number of H-Bond Acceptors 1
Number of H-Bond Donors 0
Atoms in the Largest π-System 6
XLogP 2.8
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