≥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 | CC1=CC=C(C=C1)C2CN(CC2C(=O)C3=CC=C(C=C3)F)C |
|---|---|
| IUPAC Name | (4-fluorophenyl)-[1-methyl-4-(4-methylphenyl)pyrrolidin-3-yl]methanone |
| InChIKey | BYKGNHGDMQKYEE-UHFFFAOYSA-N |
| INCHI | 1S/C19H20FNO/c1-13-3-5-14(6-4-13)17-11-21(2)12-18(17)19(22)15-7-9-16(20)10-8-15/h3-10,17-18H,11-12H2,1-2H3 |
| Isomeric SMILES | CC1=CC=C(C=C1)C2CN(CC2C(=O)C3=CC=C(C=C3)F)C |
| PubChem CID | 3265034 |
| Molecular Weight | 297.37 |
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 | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Alkyl-phenylketones |
| Alternative Parents | Phenylpyrrolidines Aryl alkyl ketones Benzoyl derivatives Fluorobenzenes Aralkylamines Toluenes N-alkylpyrrolidines Gamma-amino ketones Beta-amino ketones Aryl fluorides Pyrroles Trialkylamines Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Alkyl-phenylketone - 3-phenylpyrrolidine - Benzoyl - Aryl alkyl ketone - Fluorobenzene - Halobenzene - Toluene - Aralkylamine - Benzenoid - N-alkylpyrrolidine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Beta-aminoketone - Gamma-aminoketone - Pyrrolidine - Pyrrole - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Organic oxide - Amine - Organic nitrogen compound - Organohalogen compound - Hydrocarbon derivative - Organofluoride - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 297.400 g/mol |
|---|---|
| XLogP3 | 3.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 297.153 Da |
| Monoisotopic Mass | 297.153 Da |
| Topological Polar Surface Area | 20.300 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 383.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![(4-fluorophenyl)[1-methyl-4-(4-methylphenyl)tetrahydro-1H-pyrrol-3-yl]methanone - ≥90% CAS No(338750-26-8) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/F/9/F965790.jpg)