≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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)(COC1=CC(=C(C=C1)C(=O)N)OC2CCN(CC2F)C(=O)CC3=CC=C(C=C3)OC(F)(F)F)O |
|---|---|
| IUPAC Name | 2-[(3R,4S)-3-fluoro-1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxy-4-(2-hydroxy-2-methylpropoxy)benzamide |
| InChIKey | AUTGNDRENPBZKA-UXHICEINSA-N |
| INCHI | 1S/C25H28F4N2O6/c1-24(2,34)14-35-17-7-8-18(23(30)33)21(12-17)36-20-9-10-31(13-19(20)26)22(32)11-15-3-5-16(6-4-15)37-25(27,28)29/h3-8,12,19-20,34H,9-11,13-14H2,1-2H3,(H2,30,33)/t19-,20+/m1/s1 |
| Isomeric SMILES | CC(C)(COC1=CC(=C(C=C1)C(=O)N)O[C@H]2CCN(C[C@H]2F)C(=O)CC3=CC=C(C=C3)OC(F)(F)F)O |
| PubChem CID | 118665627 |
| Molecular Weight | 528.49 |
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 | Phenylacetamides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylacetamides |
| Alternative Parents | N-acylpiperidines Benzamides Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Tertiary carboxylic acid amides Tertiary alcohols Trihalomethanes Primary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylacetamide - N-acyl-piperidine - Benzoic acid or derivatives - Benzamide - Phenoxy compound - Phenol ether - Benzoyl - Alkyl aryl ether - Piperidine - Tertiary carboxylic acid amide - Tertiary alcohol - Trihalomethane - Primary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Halomethane - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Alcohol - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylacetamides. These are amide derivatives of phenylacetic acids. |
| External Descriptors | Not available |
| Molecular Weight | 528.500 g/mol |
|---|---|
| XLogP3 | 3.600 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 9 |
| Exact Mass | 528.188 Da |
| Monoisotopic Mass | 528.188 Da |
| Topological Polar Surface Area | 111.000 Ų |
| Heavy Atom Count | 37 |
| Formal Charge | 0 |
| Complexity | 775.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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 |
