chempirical

2-(2,3,4,5,6-Pentafluorophenoxy)acetic acid

C8H3F5O3CAS 14892-14-9242.10 g/mol

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Aryl halideCarboxylic acidEther

Properties

Molecular formula
C8H3F5O3
Molar mass
242.10 g/mol
Exact mass
242.0002 Da
Melting point
109 °C
logP
1.85Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Identifiers

CAS number
14892-14-9
SMILES
O=C(O)COc1c(F)c(F)c(F)c(F)c1F
InChIKey
SMXPFEBIAASLOR-UHFFFAOYSA-N
InChI
InChI=1S/C8H3F5O3/c9-3-4(10)6(12)8(7(13)5(3)11)16-1-2(14)15/h1H2,(H,14,15)

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Names and synonyms

5 names
  • Acetic acid, 2-(2,3,4,5,6-pentafluorophenoxy)-
  • Acetic acid, (pentafluorophenoxy)-
  • (Pentafluorophenoxy)acetic acid
  • NSC 97010
  • 2,3,4,5,6-Pentafluorophenoxyacetic acid

Work with 2-(2,3,4,5,6-Pentafluorophenoxy)acetic acid

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

2-(2,3,4,5,6-Pentafluorophenoxy)acetyl chloride55502-53-955 % similar 2,2′-[1,4-Phenylenebis(oxy)]bis[acetic acid]2245-53-650 % similar 4-Fluorophenoxyacetic acid405-79-850 % similar 2,3,4,5,6-Pentafluorobenzeneacetic acid653-21-450 % similar 2-(2,6-Dimethylphenoxy)acetic acid13335-71-249 % similar (4-Hydroxyphenoxy)acetic acid1878-84-847 % similar 1,2-Phenylenedioxydiacetic acid5411-14-347 % similar Phenoxyacetic acid122-59-845 % similar

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

Same formula

3-(Difluoromethoxy)-2,4,5-trifluorobenzoic acid128426-86-8

Elsewhere

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