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Molecule
N-(4-Fluorophenyl)Acetamide
CAS: 351-83-7 · C8H8FNO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 351-83-7
- Molecular Formula
- C8H8FNO
- Molecular Mass
- 153.16 g/mol
Identifiers
CAS Registry Number
351-83-7
SMILES
CC(O)=Nc1ccc(F)cc1
InChI Key
JHEFOJNPLXSWNZ-UHFFFAOYSA-N
InChI
InChI=1S/C8H8FNO/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11)
Names and Synonyms
- N-(4-Fluorophenyl)Acetamide Synonym
- Acetamide, N-(4-fluorophenyl)- Synonym
- Acetanilide, 4′-fluoro- Synonym
- N-(4-Fluorophenyl)acetamide Synonym
- p-Fluoroacetanilide Synonym
- 4-Fluoroacetanilide Synonym
- 4′-Fluoroacetanilide Synonym
- N-p-Fluorophenylacetamide Synonym
- NSC 10349 Synonym
- N-Acetyl-4-fluoroaniline Synonym
- 4-Acetylamino-1-fluorobenzene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 153.16 g/mol | CAS Common Chemistry |
| 153.156 g/mol | RDKit | |
| Canonical SMILES | O=C(NC1=CC=C(F)C=C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H8FNO/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11) | CAS Common Chemistry |
| InChI Key | InChIKey=JHEFOJNPLXSWNZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 154 °C | CAS Common Chemistry |
| Name | N-(4-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
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| 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.
External Resources
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MW = 153.16 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H8FNO.
