chempirical

4,4′-Dimethyldiphenyliodonium hexafluorophosphate

C14H14F6IPCAS 60565-88-0454.13 g/mol

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Aryl halide

Properties

Molecular formula
C14H14F6IP
Molar mass
454.13 g/mol
Exact mass
453.9782 Da
logP
3.81Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2

Identifiers

CAS number
60565-88-0
SMILES
Cc1ccc([I+]c2ccc(C)cc2)cc1.F[P-](F)(F)(F)(F)F
InChIKey
LHLVGWWCRPPKBC-UHFFFAOYSA-N
InChI
InChI=1S/C14H14I.F6P/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-7(2,3,4,5)6/h3-10H,1-2H3;/q+1;-1

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Names and synonyms

19 names · show all
  • Iodonium, bis(4-methylphenyl)-, hexafluorophosphate(1-) (1:1)
  • Iodonium, bis(4-methylphenyl)-, hexafluorophosphate(1-)
  • Phosphate(1-), hexafluoro-, bis(4-methylphenyl)iodonium
  • Bis(p-methylphenyl)iodonium hexafluorophosphate
  • Bis(p-tolyl)iodonium hexafluorophosphate
  • IHT-PI 820
  • Omnicat 820
  • Omnicat 445
  • R-Gen 1130
  • Omnicat 440
  • IHT-PI 445
  • Omni 440
  • IHT-PI 440
  • Bis(4-methylphenyl)iodonium hexafluorophosphate
  • UV 2257
  • PAG 30101
  • Chemcure CAT 3
  • Deuteron UV 2257
  • PI 820

Work with 4,4′-Dimethyldiphenyliodonium hexafluorophosphate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(4-Methylphenyl)[4-(2-methylpropyl)phenyl]iodonium hexafluorophosphate344562-80-766 % similar Diphenyliodonium hexafluorophosphate58109-40-356 % similar Bis(4-tert-butylphenyl)iodonium hexafluorophosphate61358-25-655 % similar P-Xylene106-42-343 % similar 1-Butyl-4-methylpyridinium hexafluorophosphate401788-99-641 % similar 4-Fluorotoluene352-32-938 % similar 1,2-Bis(4-methylphenyl)ethane538-39-635 % similar 1-Methyl-4-(trifluoromethyl)benzene6140-17-634 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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