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Molecule
N-(3-Fluorophenyl)Acetamide
CAS: 351-28-0 · C8H8FNO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 351-28-0
- Molecular Formula
- C8H8FNO
- Molecular Mass
- 153.16 g/mol
Identifiers
CAS Registry Number
351-28-0
SMILES
CC(O)=Nc1cccc(F)c1
InChI Key
AQLLDCFUQXGLHM-UHFFFAOYSA-N
InChI
InChI=1S/C8H8FNO/c1-6(11)10-8-4-2-3-7(9)5-8/h2-5H,1H3,(H,10,11)
Names and Synonyms
- N-(3-Fluorophenyl)Acetamide Synonym
- Acetamide, N-(3-fluorophenyl)- Synonym
- Acetanilide, 3′-fluoro- Synonym
- N-(3-Fluorophenyl)acetamide Synonym
- 3′-Fluoroacetanilide Synonym
- m-Fluoroacetanilide Synonym
- N-Methylcarbonyl-3-fluoroaniline Synonym
- N-Acetyl-3-fluoroaniline Synonym
- NSC 10348 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 153.16 g/mol | CAS Common Chemistry |
| 153.15599999999998 g/mol | RDKit | |
| 153.156 g/mol | RDKit | |
| Canonical SMILES | O=C(NC=1C=CC=C(F)C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H8FNO/c1-6(11)10-8-4-2-3-7(9)5-8/h2-5H,1H3,(H,10,11) | CAS Common Chemistry |
| InChI Key | InChIKey=AQLLDCFUQXGLHM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 83 °C | CAS Common Chemistry |
| Name | N-(3-Fluorophenyl)acetamide | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 32.59 Ų | RDKit |
| LogP | 2.4336 | RDKit |
| Molar Refractivity | 41.797800000000024 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.125 | RDKit |
| 0.12 | chempirical lib | |
| Exact Mass | 153.058992096 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
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.
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MW = 153.16 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H8FNO.
