Pentafluorophenyl acetate

C8H3F5O2CAS 19220-93-0226.10 g/mol

Open in Covalent MOL file
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Aryl halideEster

Properties

Molecular formula
C8H3F5O2
Molar mass
226.10 g/mol
Exact mass
226.0053 Da
logP
2.31Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
19220-93-0
SMILES
CC(=O)Oc1c(F)c(F)c(F)c(F)c1F
InChIKey
ZXTVBLZVILLKPM-UHFFFAOYSA-N
InChI
InChI=1S/C8H3F5O2/c1-2(14)15-8-6(12)4(10)3(9)5(11)7(8)13/h1H3

Weigh it out

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

Names and synonyms

4 names
  • Phenol, 2,3,4,5,6-pentafluoro-, 1-acetate
  • Phenol, pentafluoro-, acetate
  • NSC 168737
  • Perfluorophenyl acetate

Work with Pentafluorophenyl acetate

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(pentafluorophenyl) oxalate16536-48-456 % similar Dipentafluorophenylcarbonate59483-84-056 % similar Pentafluorophenyl trifluoroacetate14533-84-747 % similar Pyrogallol triacetate525-52-047 % similar 4-Fluorophenyl acetate405-51-645 % similar (2,3,4,5,6-Pentafluorophenyl) prop-2-enoate71195-85-245 % similar Hydroquinone diacetate1205-91-044 % similar 3-Fluorophenyl acetate701-83-741 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl pentafluorobenzoate36629-42-2 2,3,4,5,6-Pentafluorobenzeneacetic acid653-21-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook