chempirical

(Bis(trifluoroacetoxy)iodo)benzene

C10H5F6IO4CAS 2712-78-9430.04 g/mol

Open in Covalent MOL file
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Alkyl halideAryl halide

Properties

Molecular formula
C10H5F6IO4
Molar mass
430.04 g/mol
Exact mass
429.9137 Da
Melting point
122–124 °C
logP
3.40Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Identifiers

CAS number
2712-78-9
SMILES
O=C(OI(OC(=O)C(F)(F)F)c1ccccc1)C(F)(F)F
InChIKey
PEZNEXFPRSOYPL-UHFFFAOYSA-N
InChI
InChI=1S/C10H5F6IO4/c11-9(12,13)7(18)20-17(6-4-2-1-3-5-6)21-8(19)10(14,15)16/h1-5H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

20 names · show all
  • Iodine, phenylbis(trifluoroacetato-O)-
  • Iodine, phenylbis(trifluoroacetato-κO)-
  • Acetic acid, trifluoro-, iodine complex
  • Phenylbis(2,2,2-trifluoroacetato-κO)iodine
  • Iodobenzene bis(trifluoroacetate)
  • Phenyliodine bis(trifluoroacetate)
  • Phenyliodoso bis(trifluoroacetate)
  • Phenyliodine(III) bis(trifluoroacetate)
  • Bis(trifluoroacetoxy)iodobenzene
  • Bis(trifluoroacetato)phenyl iodide
  • Bis(trifluoroacetato)(phenyl)iodine
  • I,I-Bis(trifluoroacetoxy)iodobenzene
  • Iodobenzene di(trifluoroacetate)
  • PIFA
  • Phenylbis(trifluoroacetato-κO)iodine
  • BTIB
  • Bis(trifluoroacetoxy)iodobenzne
  • Phenylbis(trifluoroacetyloxy)iodine
  • Iodine, phenylbis(2,2,2-trifluoroacetato-κO)-
  • Benzene, [bis(trifluoroacetoxy)iodo]-

Work with (Bis(trifluoroacetoxy)iodo)benzene

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

Phenyl trifluoroacetate500-73-255 % similar 2,2,2-Trifluoro-1-phenylethanone434-45-741 % similar Trifluoroacetic anhydride407-25-040 % similar 1,1,1-Trifluoro-3-phenyl-2-propanone350-92-538 % similar 2,2,2-Trifluoroethyl trifluoroacetate407-38-537 % similar 4′-Trifluoromethylbenzophenone728-86-937 % similar Methyl trifluoroacetate431-47-036 % similar Trifluorotoluene98-08-835 % similar

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

Elsewhere

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