≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
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 | C1C2C=CC1C3C2C(=O)N(C3=O)CNC4=CC=CC(=C4)C(F)(F)F |
|---|---|
| IUPAC Name | 4-[[3-(trifluoromethyl)anilino]methyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione |
| InChIKey | XDHUTSQZCOZBEW-UHFFFAOYSA-N |
| INCHI | 1S/C17H15F3N2O2/c18-17(19,20)11-2-1-3-12(7-11)21-8-22-15(23)13-9-4-5-10(6-9)14(13)16(22)24/h1-5,7,9-10,13-14,21H,6,8H2 |
| Isomeric SMILES | C1C2C=CC1C3C2C(=O)N(C3=O)CNC4=CC=CC(=C4)C(F)(F)F |
| PubChem CID | 66524073 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Isoindoles and derivatives |
| Subclass | Isoindolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Isoindolones |
| Alternative Parents | Trifluoromethylbenzenes Phenylalkylamines Secondary alkylarylamines N-alkylpyrrolidines N-substituted carboxylic acid imides Pyrrolidine-2-ones Dicarboximides Amino acids and derivatives Lactams Tertiary amines Azacyclic compounds Organic oxides Alkyl fluorides Hydrocarbon derivatives Carbonyl compounds Organofluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Isoindolone - Trifluoromethylbenzene - Phenylalkylamine - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - Pyrrolidone - 2-pyrrolidone - Benzenoid - N-alkylpyrrolidine - Carboxylic acid imide - Dicarboximide - Pyrrolidine - Tertiary amine - Amino acid or derivatives - Lactam - Secondary amine - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Organofluoride - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as isoindolones. These are aromatic polycyclic compounds that an isoindole bearing a ketone. |
| External Descriptors | Not available |
| Molecular Weight | 336.310 g/mol |
|---|---|
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 336.109 Da |
| Monoisotopic Mass | 336.109 Da |
| Topological Polar Surface Area | 49.400 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 559.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![2-({[3-(Trifluoromethyl)phenyl]amino}methyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3-dione - ≥97% CAS No(1241674-84-9) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/T/9/T948561.jpg)