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N-[4-(Difluoromethoxy)Phenyl]Acetamide
CAS: 22236-11-9 | C9H9F2NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
22236-11-9
Molecular Formula:
C9H9F2NO2
Molecular Mass:
201.17 g/mol
Names and Synonyms:
N-[4-(Difluoromethoxy)Phenyl]Acetamide
Acetamide, N-[4-(difluoromethoxy)phenyl]-
p-Acetanisidide, α,α-difluoro-
N-[4-(Difluoromethoxy)phenyl]acetamide
N-(4-Difluoromethoxyphenyl)acetamide
4-Difluoromethoxyacetanilide
Identifiers:
SMILES:
CC(O)=Nc1ccc(OC(F)F)cc1
InChI:
InChI=1S/C9H9F2NO2/c1-6(13)12-7-2-4-8(5-3-7)14-9(10)11/h2-5,9H,1H3,(H,12,13)
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 | 201.17 g/mol | CAS Common Chemistry |
| 201.17199999999997 g/mol | RDKit | |
| 201.060134968 g/mol | RDKit | |
| Canonical SMILES | O=C(NC1=CC=C(OC(F)F)C=C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H9F2NO2/c1-6(13)12-7-2-4-8(5-3-7)14-9(10)11/h2-5,9H,1H3,(H,12,13) | CAS Common Chemistry |
| InChI Key | InChIKey=YZAFOMJODXAJQD-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-[4-(Difluoromethoxy)phenyl]acetamide | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 41.82000000000001 Ų | RDKit |
| LogP | 2.895900000000001 | RDKit |
| Molar Refractivity | 48.47180000000002 | RDKit |
