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Molecule
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
Identifiers
CAS Registry Number
640-19-7
SMILES
N=C(O)CF
InChI Key
FVTWJXMFYOXOKK-UHFFFAOYSA-N
InChI
InChI=1S/C2H4FNO/c3-1-2(4)5/h1H2,(H2,4,5)
Names and Synonyms
- Fluoroacetamide Common Name
- Acetamide, 2-fluoro- Synonym
- 2-Fluoroacetamide Synonym
- AFL 1081 Synonym
- Compound 1081 Synonym
- Fluorakil 100 Synonym
- Fussol Synonym
- Megatox Synonym
- Fluoroacetamide Synonym
- Monofluoroacetamide Synonym
- Fluoroacetic acid amide Synonym
- Flutritex 1 Synonym
- 1081 Synonym
- α-Fluoroacetamide Synonym
- NSC 31876 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 77.06 g/mol | CAS Common Chemistry |
| 77.05799999999999 g/mol | RDKit | |
| 77.058 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 |
| 0.4912 | RDKit | |
| Molar Refractivity | 16.3305 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 77.027691968 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
External Resources
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MW = 77.06 g/mol. Edit any field — others recompute live.
