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 C9H7F4IO
Molecular Weight 334.05 g/mol
Exact Mass 333.9478 Da
InChI
InChI=1S/C9H7F4IO/c1-8(9(10,11)12)6-4-2-3-5-7(6)14(13)15-8/h2-5H,1H3
InChIKey
FOSRTCQSILHYMH-UHFFFAOYSA-N
SMILES
CC1(C2=C(C=CC=C2)I(F)O1)C(F)(F)F
Number of Atoms 22
Number of H-Bond Acceptors 1
Number of H-Bond Donors 0
Atoms in the Largest π-System 6
XLogP 3.8
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