≥90% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 | C1COCCN1C(C#N)(C2=CC=CC=C2F)C3=C(C=C(C=N3)C(F)(F)F)Cl |
|---|---|
| IUPAC Name | 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-(2-fluorophenyl)-2-morpholin-4-ylacetonitrile |
| InChIKey | QYENNOPLSHJLEI-UHFFFAOYSA-N |
| INCHI | 1S/C18H14ClF4N3O/c19-14-9-12(18(21,22)23)10-25-16(14)17(11-24,26-5-7-27-8-6-26)13-3-1-2-4-15(13)20/h1-4,9-10H,5-8H2 |
| Isomeric SMILES | C1COCCN1C(C#N)(C2=CC=CC=C2F)C3=C(C=C(C=N3)C(F)(F)F)Cl |
| PubChem CID | 3698352 |
| Molecular Weight | 399.77 |
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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Halobenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Fluorobenzenes |
| Alternative Parents | Aralkylamines Pyridines and derivatives Morpholines Aryl fluorides Aryl chlorides Heteroaromatic compounds Trialkylamines Oxacyclic compounds Nitriles Dialkyl ethers Azacyclic compounds Organofluorides Organochlorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Fluorobenzene - Aralkylamine - Aryl chloride - Aryl fluoride - Aryl halide - Morpholine - Oxazinane - Pyridine - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Dialkyl ether - Ether - Oxacycle - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Alkyl halide - Alkyl fluoride - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Cyanide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring. |
| External Descriptors | Not available |
| Molecular Weight | 399.800 g/mol |
|---|---|
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 3 |
| Exact Mass | 399.076 Da |
| Monoisotopic Mass | 399.076 Da |
| Topological Polar Surface Area | 49.200 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 563.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| 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-Chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(2-fluorophenyl)-2-morpholinoacetonitrile - ≥90% , CAS No.339097-07-3](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)