Mosher's acid

C10H9F3O3CAS 81655-41-6234.17 g/mol

Open in Covalent MOL file
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

Hazards

Warning
Irritant (GHS07)

Aggregated from 44 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
81655-41-6
SMILES
COC(C(=O)O)(c1ccccc1)C(F)(F)F
InChIKey
JJYKJUXBWFATTE-UHFFFAOYSA-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)

Weigh it out

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

Names and synonyms

12 names
  • Benzeneacetic acid, α-methoxy-α-(trifluoromethyl)-
  • Benzeneacetic acid, α-methoxy-α-(trifluoromethyl)-, (±)-
  • α-Methoxy-α-(trifluoromethyl)benzeneacetic acid
  • (±)-α-Methoxy-α-(trifluoromethyl)benzeneacetic acid
  • DL-α-Methoxy-α-(trifluoromethyl)phenylacetic acid
  • (±)-α-Methoxy-α-(trifluoromethyl)phenylacetic acid
  • 2-Methoxy-2-(trifluoromethyl)phenylacetic acid
  • α-Methoxy-α-trifluoromethylphenylacetic acid
  • (±)-Mosher's acid
  • MTPA
  • 3,3,3-Trifluoro-2-methoxy-2-phenylpropanoic acid
  • (RS)-2-Methoxy-2-phenyl-3,3,3,-trifluoropropanoic acid

Work with Mosher's 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(R)-Alpha-Methoxy-alpha-(trifluoromethyl)phenylacetic acid20445-31-2Defined stereoisomer (S)-Methoxy(trifluoromethyl)phenylacetic acid17257-71-5Defined stereoisomer

Similar compounds

(S)-(+)-Alpha-methoxy-alpha-trifluoromethylphenylacetyl chloride20445-33-466 % similar (+/-)-1-Methoxy-1-(trifluoromethyl)phenylacetyl chloride64312-89-666 % similar 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 Methoxyphenyl(trifluoromethyl)acetonitrile80866-87-145 % similar Atrolactic acid515-30-044 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-(Trifluoromethoxy)hydrocinnamic acid168833-77-0

Elsewhere

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