(Bis(trifluoroacetoxy)iodo)pentafluorobenzene

C₁₀F₁₁IO₄CAS 14353-88-9519.99 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₁₀F₁₁IO₄
Molar mass: 519.99 g/mol
Exact mass: 519.8666 Da
logP: 4.10Crippen estimate
Polar surface area: 52.6 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 3

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage100% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501

Identifiers

CAS number

14353-88-9

SMILES

C1(=C(C(=C(C(=C1F)F)I(OC(=O)C(F)(F)F)OC(=O)C(F)(F)F)F)F)F

InChIKey

OQWAXRPJEPTTSZ-UHFFFAOYSA-N

InChI

InChI=1S/C10F11IO4/c11-1-2(12)4(14)6(5(15)3(1)13)22(25-7(23)9(16,17)18)26-8(24)10(19,20)21

Weigh it out

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

Names and synonyms

1 names

[Bis(trifluoroacetoxy)iodo]pentafluorobenzene

Work with (Bis(trifluoroacetoxy)iodo)pentafluorobenzene

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

Pentafluorophenyl trifluoroacetate14533-84-753 % similar (Bis(trifluoroacetoxy)iodo)benzene2712-78-951 % similar Trifluoroacetic anhydride407-25-041 % similar Trimethyl(trifluoroacetato)silane400-53-338 % similar Methyl trifluoroacetate431-47-038 % similar Phenyl trifluoroacetate500-73-235 % similar (2,2,2-Trifluoroacetyl)azanyl 2,2,2-trifluoroacetate684-78-635 % similar Ethyl trifluoroacetate383-63-134 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook