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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | C1=C(SC(=C1C(=O)N)N)CC(F)(F)F |
|---|---|
| IUPAC Name | 2-amino-5-(2,2,2-trifluoroethyl)thiophene-3-carboxamide |
| InChIKey | CNZNHOKCAAJNCF-UHFFFAOYSA-N |
| INCHI | 1S/C7H7F3N2OS/c8-7(9,10)2-3-1-4(5(11)13)6(12)14-3/h1H,2,12H2,(H2,11,13) |
| Isómeros SMILES | C1=C(SC(=C1C(=O)N)N)CC(F)(F)F |
| CAS alternativo | 1628317-82-7 |
| PubChem CID | 90404468 |
| Peso molecular | 224.2 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Thiophenes |
| Subclass | Thiophene carboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thiophene carboxamides |
| Alternative Parents | 2,3,5-trisubstituted thiophenes 2-aminothiophenes Vinylogous amides Heteroaromatic compounds Primary carboxylic acid amides Amino acids and derivatives Primary amines Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Thiophene carboxamide - 2,3,5-trisubstituted thiophene - 2-aminothiophene - Vinylogous amide - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Primary carboxylic acid amide - Carboxylic acid derivative - Organic nitrogen compound - Amine - Primary amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as thiophene carboxamides. These are compounds containing a thiophene ring which bears a carboxamide. |
| External Descriptors | Not available |
| Peso molecular | 224.210 g/mol |
|---|---|
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 224.023 Da |
| Monoisotopic Mass | 224.023 Da |
| Topological Polar Surface Area | 97.400 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 233.000 |
| 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 |