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(R)-Α-Methoxy-Α-(Trifluoromethyl)Phenylacetic Acid
CAS: 20445-31-2 | C10H9F3O3
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
20445-31-2
Molecular Formula:
C10H9F3O3
Molecular Mass:
234.17 g/mol
Names and Synonyms:
(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
(2R)-3,3,3-Trifluoro-2-methoxy-2-phenylpropanoic acid
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
(R)-α-Methoxy-α-(trifluoromethyl)phenylacetic acid
(+)-3,3,3-Trifluoro-2-methoxy-2-phenylpropionic acid
(R)-α-Methoxy-α-(trifluoromethyl)benzeneacetic acid
(R)-Mosher's acid
(R)-Mosher acid
(R)-MTPA
(R)-3,3,3-Trifluoro-2-methoxy-2-phenylpropanoic acid
(R)-(+)-3,3,3-Trifluoro-2-phenyl-2-methoxypropanoic acid
Identifiers:
SMILES:
CO[C@@](C(=O)O)(c1ccccc1)C(F)(F)F
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
Key Properties
Boiling Point
95-110 °C @ Press: 1.5-2.0 Torr
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 234.17 g/mol | CAS Common Chemistry |
| 234.17299999999994 g/mol | RDKit | |
| 234.050378808 g/mol | RDKit | |
| Boiling Point | 95-110 °C @ Press: 1.5-2.0 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(O)C(OC)(C=1C=CC=CC1)C(F)(F)F | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=JJYKJUXBWFATTE-SECBINFHSA-N | CAS Common Chemistry |
| Name | (R)-α-Methoxy-α-(trifluoromethyl)phenylacetic acid | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 46.53 Ų | RDKit |
| LogP | 2.1752000000000002 | RDKit |
| Molar Refractivity | 48.819800000000015 | RDKit |
