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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | C1=CC(=CC=C1NC(=O)CC#N)SC(F)F |
|---|---|
| IUPAC Name | 2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]acetamide |
| InChIKey | LPJHGYHDEVGPTG-UHFFFAOYSA-N |
| INCHI | 1S/C10H8F2N2OS/c11-10(12)16-8-3-1-7(2-4-8)14-9(15)5-6-13/h1-4,10H,5H2,(H,14,15) |
| Peso molecular | 242.25 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Anilides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Anilides |
| Alternative Parents | Thiophenol ethers N-arylamides Alkylarylthioethers Secondary carboxylic acid amides Sulfenyl compounds Nitriles Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Anilide - Thiophenol ether - Aryl thioether - N-arylamide - Alkylarylthioether - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Carbonitrile - Sulfenyl compound - Nitrile - Thioether - Hydrocarbon derivative - Alkyl halide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Alkyl fluoride - Carbonyl group - Organic oxide - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution. |
| External Descriptors | Not available |
| Peso molecular | 242.250 g/mol |
|---|---|
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 242.033 Da |
| Monoisotopic Mass | 242.033 Da |
| Topological Polar Surface Area | 78.200 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 282.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |