for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1=CC=C(C=C1)N2C(C3C(O2)C(=O)N(C3=O)C4=CC=CC=C4C(F)(F)F)C5=CC=C(C=C5)OC(F)F |
|---|---|
| IUPAC Name | 3-[4-(difluoromethoxy)phenyl]-2-phenyl-5-[2-(trifluoromethyl)phenyl]-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione |
| InChIKey | RVRWYUMQGDPBPJ-UHFFFAOYSA-N |
| INCHI | 1S/C25H17F5N2O4/c26-24(27)35-16-12-10-14(11-13-16)20-19-21(36-32(20)15-6-2-1-3-7-15)23(34)31(22(19)33)18-9-5-4-8-17(18)25(28,29)30/h1-13,19-21,24H |
| Molecular Weight | 504.4 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyrrolidines |
| Subclass | Phenylpyrrolidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrrolidines |
| Alternative Parents | Phenylisoxazolidines Trifluoromethylbenzenes 1-hydroxylamino, 2-unsubstituted benzenoids 1-hydroxylamino, 4-unsubstituted benzenoids Phenoxy compounds Phenol ethers N-phenylhydroxylamines Pyrrolidine-2-ones N-substituted carboxylic acid imides Pyrroles Dicarboximides Lactams Oxacyclic compounds N-organohydroxylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Organofluorides Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylisoxazolidine - 1-phenylpyrrolidine - Trifluoromethylbenzene - Phenoxy compound - N-phenylhydroxylamine - 1-hydroxylamino, 4-unsubstituted benzenoid - 1-hydroxylamino, 2-unsubstituted benzenoid - Phenol ether - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - Pyrrolidone - 2-pyrrolidone - Benzenoid - Carboxylic acid imide - Dicarboximide - Isoxazolidine - Pyrrole - Lactam - N-organohydroxylamine - Azacycle - Oxacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Organic oxygen compound - Organonitrogen compound - Alkyl halide - Alkyl fluoride - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms. |
| External Descriptors | Not available |
| Molecular Weight | 504.400 g/mol |
|---|---|
| XLogP3 | 5.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 5 |
| Exact Mass | 504.111 Da |
| Monoisotopic Mass | 504.111 Da |
| Topological Polar Surface Area | 59.100 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 813.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![3-(4-(difluoromethoxy)phenyl)-2-phenyl-5-(2-(trifluoromethyl)phenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione , CAS No.319928-19-3](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)