≥98% 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 | CC(C)(C)OC(=O)N1CCC(=CC2=CC(=CC=C2)OC3=NC=C(C=C3)C(F)(F)F)CC1 |
|---|---|
| IUPAC Name | tert-butyl 4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methylidene]piperidine-1-carboxylate |
| InChIKey | QCDWBPDXKWWGSM-UHFFFAOYSA-N |
| INCHI | 1S/C23H25F3N2O3/c1-22(2,3)31-21(29)28-11-9-16(10-12-28)13-17-5-4-6-19(14-17)30-20-8-7-18(15-27-20)23(24,25)26/h4-8,13-15H,9-12H2,1-3H3 |
| Isomeric SMILES | CC(C)(C)OC(=O)N1CCC(=CC2=CC(=CC=C2)OC3=NC=C(C=C3)C(F)(F)F)CC1 |
| PubChem CID | 66875665 |
| Molecular Weight | 434.45 |
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 | Ethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diarylethers |
| Alternative Parents | Piperidinecarboxylic acids Phenoxy compounds Phenol ethers Pyridines and derivatives Heteroaromatic compounds Carbamate esters Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Diaryl ether - Piperidinecarboxylic acid - Phenoxy compound - Phenol ether - Monocyclic benzene moiety - Piperidine - Pyridine - Benzenoid - Carbamic acid ester - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Alkyl halide - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Carbonyl group - Alkyl fluoride - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups. |
| External Descriptors | Not available |
| Molecular Weight | 434.500 g/mol |
|---|---|
| XLogP3 | 5.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 434.182 Da |
| Monoisotopic Mass | 434.182 Da |
| Topological Polar Surface Area | 51.700 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 635.000 |
| 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 |
