Organofluorine / Alfa Chemistry
Bis[5-fluoro-2-(2,4-difluorophenyl)pyridine][5,5'-bis(trifluoromethyl)-2,2'-bipyridine] iridium(III) hexafluorophosphate

Bis[5-fluoro-2-(2,4-difluorophenyl)pyridine][5,5'-bis(trifluoromethyl)-2,2'-bipyridine] iridium(III) hexafluorophosphate

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Bis[5-fluoro-2-(2,4-difluorophenyl)pyridine][5,5'-bis(trifluoromethyl)-2,2'-bipyridine] iridium(III) hexafluorophosphate
Catalog OFC2757085177
CAS 2757085-17-7
Category Fluorinated Catalysts
Synonyms [5,5'-Bis-Trifluoromethyl]Bis[3,5-Difluoro-2-(5-Fluoro-2-Pyridinyl)Phenyl]Iridium(III) Hexafluorophosphate
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Other Identifiers Chemical Data Computational Chemistry
IUPAC Name 2-(2,4-difluorobenzene-6-id-1-yl)-5-fluoropyridine;iridium(3+);5-(trifluoromethyl)-2-[5-(trifluoromethyl)pyridin-2-yl]pyridine;hexafluorophosphate
InChI InChI=1S/C12H6F6N2.2C11H5F3N.F6P.Ir/c13-11(14,15)7-1-3-9(19-5-7)10-4-2-8(6-20-10)12(16,17)18;2*12-7-1-3-9(10(14)5-7)11-4-2-8(13)6-15-11;1-7(2,3,4,5)6;/h1-6H;2*1-2,4-6H;;/q;3*-1;+3
InChI Key YAONBOFRQWVDGS-UHFFFAOYSA-N
Isomeric SMILES C1=CC(=NC=C1C(F)(F)F)C2=NC=C(C=C2)C(F)(F)F.C1=CC(=NC=C1F)C2=C(C=C(C=[C-]2)F)F.C1=CC(=NC=C1F)C2=C(C=C(C=[C-]2)F)F.F[P-](F)(F)(F)(F)F.[Ir+3]
Molecular Formula C34H16F18IrN4P
Molecular Weight 1045.68
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 25
Rotatable Bond Count 0
Exact Mass 1046.04544 g/mol
Monoisotopic Mass 1046.04544 g/mol
Topological Polar Surface Area 51.6Ų
Heavy Atom Count 58
Formal Charge 0
Complexity 1300

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