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 C15H11FO2
Molecular Weight 242.25 g/mol
Exact Mass 242.0743 Da
InChI
InChI=1S/C15H11FO2/c16-15(10-11-6-2-1-3-7-11)13-9-5-4-8-12(13)14(17)18-15/h1-9H,10H2
InChIKey
URVZKRIOJNCBIQ-UHFFFAOYSA-N
SMILES
C1=CC=C(C=C1)CC2(C3=C(C=CC=C3)C(=O)O2)F
Number of Atoms 29
Number of H-Bond Acceptors 2
Number of H-Bond Donors 0
Atoms in the Largest π-System 9
XLogP 2.5
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