Pentafluorophenyl trifluoroacetate

C₈F₈O₂CAS 14533-84-7280.07 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ester

Properties

Molecular formula: C₈F₈O₂
Molar mass: 280.07 g/mol
Exact mass: 279.9771 Da
logP: 2.85Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H226 Flammable liquid and vapor100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.5% of notifiers

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

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

14533-84-7

SMILES

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

InChIKey

VCQURUZYYSOUHP-UHFFFAOYSA-N

InChI

InChI=1S/C8F8O2/c9-1-2(10)4(12)6(5(13)3(1)11)18-7(17)8(14,15)16

Weigh it out

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

Work with Pentafluorophenyl trifluoroacetate

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

(Bis(trifluoroacetoxy)iodo)pentafluorobenzene14353-88-953 % similar Bis(pentafluorophenyl) oxalate16536-48-452 % similar Dipentafluorophenylcarbonate59483-84-052 % similar Phenyl trifluoroacetate500-73-247 % similar Pentafluorophenyl acetate19220-93-047 % similar Trifluoroacetic anhydride407-25-046 % similar (2,3,4,5,6-Pentafluorophenyl) prop-2-enoate71195-85-242 % similar Trimethyl(trifluoroacetato)silane400-53-342 % similar

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

Elsewhere

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