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 |