| Sonrisas canónicas | C1=CC(=C(C=C1N)C#N)OCC(F)(F)F |
|---|---|
| IUPAC Name | 5-amino-2-(2,2,2-trifluoroethoxy)benzonitrile |
| InChIKey | VGDCFDPLGVICBG-UHFFFAOYSA-N |
| INCHI | 1S/C9H7F3N2O/c10-9(11,12)5-15-8-2-1-7(14)3-6(8)4-13/h1-3H,5,14H2 |
| Isómeros SMILES | C1=CC(=C(C=C1N)C#N)OCC(F)(F)F |
| PubChem CID | 22227904 |
| Peso molecular | 216.16 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Phenol ethers |
| Subclass | Aminophenyl ethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aminophenyl ethers |
| Alternative Parents | Phenoxy compounds Benzonitriles Aniline and substituted anilines Alkyl aryl ethers Nitriles Primary amines Organofluorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Aminophenyl ether - Phenoxy compound - Benzonitrile - Aniline or substituted anilines - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Carbonitrile - Nitrile - Organic nitrogen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Cyanide - Organic oxygen compound - Amine - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as aminophenyl ethers. These are aromatic compounds that contain a phenol ether, which carries an amine group on the benzene ring. |
| External Descriptors | Not available |
| Peso molecular | 216.160 g/mol |
|---|---|
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 216.051 Da |
| Monoisotopic Mass | 216.051 Da |
| Topological Polar Surface Area | 59.000 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 258.000 |
| 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 |
