chempirical

Pentafluorophenyl acetate

C8H3F5O2CAS 19220-93-0226.10 g/mol

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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

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

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Names and synonyms

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

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

Acetpyrogall525-52-047 % similar 4-Fluorophenyl acetate405-51-645 % similar 3-Fluorophenyl acetate701-83-741 % similar Phenyl acetate122-79-240 % similar Tetraacetoxysilane562-90-340 % similar 1-(2,3,4,5,6-Pentafluorophenyl)ethanone652-29-939 % similar Acetic anhydride108-24-739 % similar 1,3-Dihydroxybenzene diacetate108-58-739 % similar

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

Same formula

2,3,4,5,6-Pentafluorobenzeneacetic acid653-21-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook