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Fluoroacetamide
CAS: 640-19-7 | C2H4FNO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
640-19-7
Molecular Formula:
C2H4FNO
Molecular Mass:
77.06 g/mol
Names and Synonyms:
Fluoroacetamide
Acetamide, 2-fluoro-
2-Fluoroacetamide
AFL 1081
Compound 1081
Fluorakil 100
Fussol
Megatox
Fluoroacetamide
Monofluoroacetamide
Fluoroacetic acid amide
Flutritex 1
1081
α-Fluoroacetamide
NSC 31876
Identifiers:
SMILES:
N=C(O)CF
InChI:
InChI=1S/C2H4FNO/c3-1-2(4)5/h1H2,(H2,4,5)
Key Properties
Melting Point
108 °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 | 77.06 g/mol | CAS Common Chemistry |
| 77.05799999999999 g/mol | RDKit | |
| 77.027691968 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Fluoroacetamide | CAS Common Chemistry |
| Canonical SMILES | O=C(N)CF | CAS Common Chemistry |
| InChI | InChI=1S/C2H4FNO/c3-1-2(4)5/h1H2,(H2,4,5) | CAS Common Chemistry |
| InChI Key | InChIKey=FVTWJXMFYOXOKK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 108 °C | CAS Common Chemistry |
| Name | Fluoroacetamide | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 44.08 Ų | RDKit |
| LogP | 0.49117 | RDKit |
| Molar Refractivity | 16.3305 | RDKit |
