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Molecule
2-Chloro-N-(2-Fluorophenyl)Acetamide
CAS: 347-66-0 · C8H7ClFNO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 347-66-0
- Molecular Formula
- C8H7ClFNO
- Molecular Mass
- 187.60 g/mol
Identifiers
CAS Registry Number
347-66-0
SMILES
OC(CCl)=Nc1ccccc1F
InChI Key
YHJYFDQKFJQLNL-UHFFFAOYSA-N
InChI
InChI=1S/C8H7ClFNO/c9-5-8(12)11-7-4-2-1-3-6(7)10/h1-4H,5H2,(H,11,12)
Names and Synonyms
- 2-Chloro-N-(2-Fluorophenyl)Acetamide Synonym
- Acetamide, 2-chloro-N-(2-fluorophenyl)- Synonym
- Acetanilide, 2-chloro-2′-fluoro- Synonym
- 2-Chloro-N-(2-fluorophenyl)acetamide Synonym
- N-(2-Fluorophenyl)-2-chloroacetamide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 187.60 g/mol | CAS Common Chemistry |
| 187.601 g/mol | RDKit | |
| 187.598 g/mol | chempirical lib | |
| Canonical SMILES | O=C(NC=1C=CC=CC1F)CCl | CAS Common Chemistry |
| InChI | InChI=1S/C8H7ClFNO/c9-5-8(12)11-7-4-2-1-3-6(7)10/h1-4H,5H2,(H,11,12) | CAS Common Chemistry |
| InChI Key | InChIKey=YHJYFDQKFJQLNL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 88-90 °C | CAS Common Chemistry |
| Name | 2-Chloro-N-(2-fluorophenyl)acetamide | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 32.59 Ų | RDKit |
| LogP | 2.6525000000000007 | RDKit |
| 2.6525 | RDKit | |
| Molar Refractivity | 46.84380000000001 cm³/mol | RDKit |
| Formal Charge | 0 | RDKit |
| Ring Count | 1 | RDKit |
| Fraction Csp3 | 0.125 | RDKit |
| 0.12 | chempirical lib | |
| Exact Mass | 187.020019744 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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.
External Resources
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MW = 187.60 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H7ClFNO.
