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2-Chloro-N-[3-(Trifluoromethyl)Phenyl]Acetamide
CAS: 351-38-2 | C9H7ClF3NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
351-38-2
Molecular Formula:
C9H7ClF3NO
Molecular Mass:
237.61 g/mol
Names and Synonyms:
2-Chloro-N-[3-(Trifluoromethyl)Phenyl]Acetamide
Acetamide, 2-chloro-N-[3-(trifluoromethyl)phenyl]-
m-Acetotoluidide, 2-chloro-α,α,α-trifluoro-
2-Chloro-N-[3-(trifluoromethyl)phenyl]acetamide
N-(3-Trifluoromethylphenyl)-2-chloroacetamide
2-Chloro-m-trifluoromethylacetanilide
[(3-Trifluoromethylphenyl)aminocarbonylmethyl]chloride
Identifiers:
SMILES:
OC(CCl)=Nc1cccc(C(F)(F)F)c1
InChI:
InChI=1S/C9H7ClF3NO/c10-5-8(15)14-7-3-1-2-6(4-7)9(11,12)13/h1-4H,5H2,(H,14,15)
Key Properties
Melting Point
68 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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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 | 237.61 g/mol | CAS Common Chemistry |
| 237.60799999999998 g/mol | RDKit | |
| 237.016826184 g/mol | RDKit | |
| Canonical SMILES | O=C(NC1=CC=CC(=C1)C(F)(F)F)CCl | CAS Common Chemistry |
| InChI | InChI=1S/C9H7ClF3NO/c10-5-8(15)14-7-3-1-2-6(4-7)9(11,12)13/h1-4H,5H2,(H,14,15) | CAS Common Chemistry |
| InChI Key | InChIKey=MOEJRZLPQODXGM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 68 °C | CAS Common Chemistry |
| Name | 2-Chloro-N-[3-(trifluoromethyl)phenyl]acetamide | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 32.59 Ų | RDKit |
| LogP | 3.5322000000000013 | RDKit |
| Molar Refractivity | 51.887800000000006 | RDKit |
