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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)F)C(F)(F)F |
|---|---|
| IUPAC Name | N-(4-fluorophenyl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide |
| InChIKey | WSVOEEWYUHCLEM-UHFFFAOYSA-N |
| INCHI | 1S/C12H10F4N4OS/c1-20-10(12(14,15)16)18-19-11(20)22-6-9(21)17-8-4-2-7(13)3-5-8/h2-5H,6H2,1H3,(H,17,21) |
| Peso molecular | 334.290 |
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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 | N-arylamides Fluorobenzenes Alkylarylthioethers Aryl fluorides Triazoles Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Anilide - Aryl thioether - N-arylamide - Fluorobenzene - Halobenzene - Alkylarylthioether - Aryl fluoride - Aryl halide - Azole - Heteroaromatic compound - 1,2,4-triazole - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Thioether - Sulfenyl compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Hydrocarbon derivative - Alkyl fluoride - Organic oxide - Carbonyl group - Organopnictogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic 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 | 334.290 g/mol |
|---|---|
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 4 |
| Exact Mass | 334.051 Da |
| Monoisotopic Mass | 334.051 Da |
| Topological Polar Surface Area | 85.100 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 390.000 |
| 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 |