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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)C1COC(=O)N1C(=O)CCCC(F)(F)F |
|---|---|
| IUPAC Name | (4S)-4-propan-2-yl-3-(5,5,5-trifluoropentanoyl)-1,3-oxazolidin-2-one |
| InChIKey | PDGUBGGKVSFZAA-MRVPVSSYSA-N |
| INCHI | 1S/C11H16F3NO3/c1-7(2)8-6-18-10(17)15(8)9(16)4-3-5-11(12,13)14/h7-8H,3-6H2,1-2H3/t8-/m1/s1 |
| Isomeric SMILES | CC(C)[C@H]1COC(=O)N1C(=O)CCCC(F)(F)F |
| PubChem CID | 68315009 |
| Molecular Weight | 267.24 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Class | Fatty Acyls |
| Subclass | Fatty amides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | N-acyl amines |
| Alternative Parents | Oxazolidinones Dicarboximides Carbamate esters Organic carbonic acids and derivatives Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Oxazolidinone - N-acyl-amine - Carbamic acid ester - Oxazolidine - Dicarboximide - Carbonic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as n-acyl amines. These are compounds containing a fatty acid moiety linked to an amine group through an ester linkage. |
| External Descriptors | Not available |
| Molecular Weight | 267.240 g/mol |
|---|---|
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 267.108 Da |
| Monoisotopic Mass | 267.108 Da |
| Topological Polar Surface Area | 46.600 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 328.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |