≥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)N1CC(C1)(C2=CC(=C(C=C2)F)F)O |
|---|---|
| IUPAC Name | tert-butyl 3-(3,4-difluorophenyl)-3-hydroxyazetidine-1-carboxylate |
| InChIKey | IGEGOOFDIBQXOY-UHFFFAOYSA-N |
| INCHI | 1S/C14H17F2NO3/c1-13(2,3)20-12(18)17-7-14(19,8-17)9-4-5-10(15)11(16)6-9/h4-6,19H,7-8H2,1-3H3 |
| Molecular Weight | 285.29 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azetidines |
| Subclass | Phenylazetidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylazetidines |
| Alternative Parents | Fluorobenzenes Azetidinecarboxylic acids Aryl fluorides Tertiary alcohols Carbamate esters Tertiary amines Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 3-phenylazetidine - Azetidinecarboxylic acid - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary alcohol - Carbamic acid ester - Tertiary amine - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Amine - Alcohol - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylazetidines. These are polycyclic aromatic compounds containing a phenyl ring substituted with an azetidine ring. |
| External Descriptors | Not available |
| Molecular Weight | 285.290 g/mol |
|---|---|
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 285.118 Da |
| Monoisotopic Mass | 285.118 Da |
| Topological Polar Surface Area | 49.800 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 377.000 |
| 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 |
