chempirical

(S)-Methoxy(trifluoromethyl)phenylacetic acid

C10H9F3O3CAS 17257-71-5234.17 g/mol

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OOHOFFF
Alkyl halideCarboxylic acidEther

Properties

Molecular formula
C10H9F3O3
Molar mass
234.17 g/mol
Exact mass
234.0504 Da
logP
2.18Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
17257-71-5
SMILES
CO[C@](C(=O)O)(c1ccccc1)C(F)(F)F
InChIKey
JJYKJUXBWFATTE-VIFPVBQESA-N
InChI
InChI=1S/C10H9F3O3/c1-16-9(8(14)15,10(11,12)13)7-5-3-2-4-6-7/h2-6H,1H3,(H,14,15)/t9-/m0/s1

Weigh it out

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

Names and synonyms

21 names · show all
  • (S)-Mosher's acid
  • Benzeneacetic acid, α-methoxy-α-(trifluoromethyl)-, (αS)-
  • Hydratropic acid, β,β,β-trifluoro-α-methoxy-, (-)-
  • Benzeneacetic acid, α-methoxy-α-(trifluoromethyl)-, (S)-
  • (αS)-α-Methoxy-α-(trifluoromethyl)benzeneacetic acid
  • (S)-(-)-β,β,β-Trifluoro-α-methoxyhydratropic acid
  • Mosher's acid
  • (-)-(S)-MTPA
  • (-)-Mosher's acid
  • (-)-MTPA
  • (S)-α-Methoxy-α-(trifluoromethyl)phenylacetic acid
  • (-)-α-Methoxy-α-(trifluoromethyl)phenylacetic acid
  • S-(-)-α-Methoxy-α-(trifluoromethyl)phenylacetic acid
  • (S)-Mosher acid
  • (S)-MTPA
  • (S)-(-)-3,3,3-Trifluoro-2-phenyl-2-methoxypropanoic acid
  • (S)-2-Methoxy-2-trifluoromethylphenyl acetic acid
  • (S)-(-)-Mosher acid
  • (S)-2-Methoxy-2-phenyl-2-(trifluoromethyl)ethanoic acid
  • S-MTPA-OH
  • (2S)-3,3,3-Trifluoro-2-methoxy-2-phenylpropanoic acid

Work with (S)-Methoxy(trifluoromethyl)phenylacetic 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-Diphenylpropionic acid5558-66-750 % similar 2-Methyl-2-phenylpropanoic acid826-55-146 % similar Triphenylacetic acid595-91-546 % similar 1,1′-(Dimethoxymethylene)bis[benzene]2235-01-045 % similar α-Methoxy-α-(trifluoromethyl)benzeneacetonitrile80866-87-145 % similar N-Methylanilinium trifluoroacetate29885-95-843 % similar 2-Ethyl-2-phenylbutyric acid5465-28-143 % similar 2,2-Diphenylglycine3060-50-242 % similar

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

Same formula

(R)-α-Methoxy-α-(trifluoromethyl)phenylacetic acid20445-31-2 Mosher'S acid81655-41-6

Elsewhere

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