(R)-Alpha-Methoxy-alpha-(trifluoromethyl)phenylacetic acid

C₁₀H₉F₃O₃CAS 20445-31-2234.17 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid Ether

Properties

Molecular formula: C₁₀H₉F₃O₃
Molar mass: 234.17 g/mol
Exact mass: 234.0504 Da
Boiling point: 95–110 °C (at NaN Torr)
logP: 2.18Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3
Stereocentres: Rin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 46 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

20445-31-2

SMILES

CO[C@@](C(=O)O)(c1ccccc1)C(F)(F)F

InChIKey

JJYKJUXBWFATTE-SECBINFHSA-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-/m1/s1

Weigh it out

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

Names and synonyms

25 names · show all

(R)-α-Methoxy-α-(trifluoromethyl)phenylacetic acid
Benzeneacetic acid, α-methoxy-α-(trifluoromethyl)-, (αR)-
(R)-2-Methoxy-2-(trifluoromethylphenylacetic acid
(R)-(+)-Mosher's acid
(R)-(+)-Mosher acid
(R)-α-Methoxy-α-(trifluoromethyl)phenylethanoic acid
(R)-2-Methoxy-2-phenyl-2-(trifluoromethyl)ethanoic acid
(2R)-3,3,3-Trifluoro-2-methoxy-2-phenylpropanoic acid
(R)-α-Methoxy-α-trifluoromethylphenylacetic acid
(R)-Mosher acid
R-MTPA-OH
Hydratropic acid, β,β,β-trifluoro-α-methoxy-, (+)-
Benzeneacetic acid, α-methoxy-α-(trifluoromethyl)-, (R)-
(αR)-α-Methoxy-α-(trifluoromethyl)benzeneacetic acid
(+)-Mosher's acid
(+)-α-Methoxy-α-(trifluoromethyl)phenylacetic acid
(R)-(+)-α-Methoxy-α-(trifluoromethyl)phenylacetic acid
(+)-MTPA
(R)-(+)-MTPA acid
(+)-3,3,3-Trifluoro-2-methoxy-2-phenylpropionic acid
(R)-α-Methoxy-α-(trifluoromethyl)benzeneacetic acid
(R)-Mosher's acid
(R)-MTPA
(R)-3,3,3-Trifluoro-2-methoxy-2-phenylpropanoic acid
(R)-(+)-3,3,3-Trifluoro-2-phenyl-2-methoxypropanoic acid

Work with (R)-Alpha-Methoxy-alpha-(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

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.

(S)-Methoxy(trifluoromethyl)phenylacetic acid17257-71-5Enantiomer Mosher's acid81655-41-6Stereo not defined

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 α-Methoxy-α-(trifluoromethyl)benzeneacetonitrile80866-87-145 % 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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