Back to Search
2-Methoxy-5-(Trifluoromethyl)Aniline
CAS: 349-65-5 | C8H8F3NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
349-65-5
Molecular Formula:
C8H8F3NO
Molecular Mass:
191.15 g/mol
Names and Synonyms:
2-Methoxy-5-(Trifluoromethyl)Aniline
Benzenamine, 2-methoxy-5-(trifluoromethyl)-
o-Anisidine, 5-(trifluoromethyl)-
2-Methoxy-5-(trifluoromethyl)benzenamine
α,α,α-Trifluoro-6-methoxy-m-toluidine
2-Methoxy-5-(trifluoromethyl)aniline
2-Amino-4-(trifluoromethyl)anisole
5-(Trifluoromethyl)-o-anisidine
3-Amino-4-methoxybenzotrifluoride
(2-Methoxy-5-(trifluoromethyl)phenyl)amine
2-Methyloxy-5-trifluoromethylaniline
Identifiers:
SMILES:
COc1ccc(C(F)(F)F)cc1N
InChI:
InChI=1S/C8H8F3NO/c1-13-7-3-2-5(4-6(7)12)8(9,10)11/h2-4H,12H2,1H3
Key Properties
Melting Point
57-58 °C
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 | 191.15 g/mol | CAS Common Chemistry |
| 191.152 g/mol | RDKit | |
| 191.055798536 g/mol | RDKit | |
| Canonical SMILES | FC(F)(F)C1=CC=C(OC)C(N)=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C8H8F3NO/c1-13-7-3-2-5(4-6(7)12)8(9,10)11/h2-4H,12H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=RKUSRLUGUVDNKP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 57-58 °C | CAS Common Chemistry |
| Name | 2-Methoxy-5-(trifluoromethyl)aniline | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 35.25 Ų | RDKit |
| LogP | 2.2962 | RDKit |
| Molar Refractivity | 42.408400000000015 | RDKit |
