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Molecule
2-Methoxy-5-(Trifluoromethyl)Aniline
CAS: 349-65-5 · C8H8F3NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 349-65-5
- Molecular Formula
- C8H8F3NO
- Molecular Mass
- 191.15 g/mol
Identifiers
CAS Registry Number
349-65-5
SMILES
COc1ccc(C(F)(F)F)cc1N
InChI Key
RKUSRLUGUVDNKP-UHFFFAOYSA-N
InChI
InChI=1S/C8H8F3NO/c1-13-7-3-2-5(4-6(7)12)8(9,10)11/h2-4H,12H2,1H3
Names and Synonyms
- 2-Methoxy-5-(Trifluoromethyl)Aniline Synonym
- Benzenamine, 2-methoxy-5-(trifluoromethyl)- Synonym
- o-Anisidine, 5-(trifluoromethyl)- Synonym
- 2-Methoxy-5-(trifluoromethyl)benzenamine Synonym
- α,α,α-Trifluoro-6-methoxy-m-toluidine Synonym
- 2-Methoxy-5-(trifluoromethyl)aniline Synonym
- 2-Amino-4-(trifluoromethyl)anisole Synonym
- 5-(Trifluoromethyl)-o-anisidine Synonym
- 3-Amino-4-methoxybenzotrifluoride Synonym
- (2-Methoxy-5-(trifluoromethyl)phenyl)amine Synonym
- 2-Methyloxy-5-trifluoromethylaniline Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 191.15 g/mol | CAS Common Chemistry |
| 191.152 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 |
| 2.27 | chempirical lib | |
| Molar Refractivity | 42.408400000000015 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 191.055798536 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 191.15 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H8F3NO.
