4,4′-Dimethyldiphenyliodonium hexafluorophosphate

C₁₄H₁₄F₆IPCAS 60565-88-0454.13 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₁₄F₆IP
Molar mass: 454.13 g/mol
Exact mass: 453.9782 Da
logP: 3.81Crippen estimate
Polar surface area: 0.0 Å²
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 4-Fluorotoluene352-32-938 % similar 1,2-Bis(4-methylphenyl)ethane538-39-635 % similar 1-Methyl-4-(trifluoromethyl)benzene6140-17-634 % similar 4-Bromotoluene106-38-733 % similar P-Cresol106-44-533 % similar

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

Elsewhere

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