≥90% 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 | C1=CC(=CC(=C1)C(F)(F)F)CN2C=C(C3=C2N=CC=C3)C(=O)C(F)(F)F |
|---|---|
| IUPAC Name | 2,2,2-trifluoro-1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanone |
| InChIKey | RQFLRPGSBYJVAZ-UHFFFAOYSA-N |
| INCHI | 1S/C17H10F6N2O/c18-16(19,20)11-4-1-3-10(7-11)8-25-9-13(14(26)17(21,22)23)12-5-2-6-24-15(12)25/h1-7,9H,8H2 |
| Molecular Weight | 372.260 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Trifluoromethylbenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Trifluoromethylbenzenes |
| Alternative Parents | Pyrrolopyridines Aryl alkyl ketones Substituted pyrroles Pyridines and derivatives Vinylogous amides Heteroaromatic compounds Alpha-haloketones Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Trifluoromethylbenzene - Pyrrolopyridine - Aryl alkyl ketone - Aryl ketone - Pyridine - Substituted pyrrole - Alpha-haloketone - Pyrrole - Heteroaromatic compound - Vinylogous amide - Ketone - Azacycle - Organoheterocyclic compound - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups. |
| External Descriptors | Not available |
| Molecular Weight | 372.260 g/mol |
|---|---|
| XLogP3 | 4.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 3 |
| Exact Mass | 372.07 Da |
| Monoisotopic Mass | 372.07 Da |
| Topological Polar Surface Area | 34.900 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 520.000 |
| 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 |
![2,2,2-trifluoro-1-{1-[3-(trifluoromethyl)benzyl]-1H-pyrrolo[2,3-b]pyridin-3-yl}-1-ethanone - ≥90% CAS No(860785-60-0) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/T/9/T957918.jpg)