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Molecule
N-Methyl-2-(Trifluoromethyl)Benzenamine
CAS: 14925-10-1 · C8H8F3N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 14925-10-1
- Molecular Formula
- C8H8F3N
- Molecular Mass
- 175.15 g/mol
Identifiers
CAS Registry Number
14925-10-1
SMILES
CNc1ccccc1C(F)(F)F
InChI Key
RNRDHZGWBBEZBK-UHFFFAOYSA-N
InChI
InChI=1S/C8H8F3N/c1-12-7-5-3-2-4-6(7)8(9,10)11/h2-5,12H,1H3
Names and Synonyms
- N-Methyl-2-(Trifluoromethyl)Benzenamine Common Name
- Benzenamine, N-methyl-2-(trifluoromethyl)- Synonym
- o-Toluidine, α,α,α-trifluoro-N-methyl- Synonym
- N-Methyl-2-(trifluoromethyl)benzenamine Synonym
- N-Methyl-2-trifluoromethylaniline Synonym
- 2-(Methylamino)benzotrifluoride Synonym
- 2-Trifluoromethyl-N-methylaniline Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 175.15 g/mol | CAS Common Chemistry |
| 175.15299999999996 g/mol | RDKit | |
| 175.153 g/mol | RDKit | |
| Canonical SMILES | FC(F)(F)C=1C=CC=CC1NC | CAS Common Chemistry |
| InChI | InChI=1S/C8H8F3N/c1-12-7-5-3-2-4-6(7)8(9,10)11/h2-5,12H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=RNRDHZGWBBEZBK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-Methyl-2-(trifluoromethyl)benzenamine | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 2.7471000000000005 | RDKit |
| 2.7471 | RDKit | |
| 2.56 | chempirical lib | |
| Molar Refractivity | 40.99070000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 175.060883916 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 175.15 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H8F3N.
