for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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 | [B-](CCC(=O)OC(C)(C)C)(F)(F)F.[K+] |
|---|---|
| IUPAC Name | potassium;trifluoro-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]boranuide |
| InChIKey | SCIFNXNSQDOFML-UHFFFAOYSA-N |
| INCHI | 1S/C7H13BF3O2.K/c1-7(2,3)13-6(12)4-5-8(9,10)11;/h4-5H2,1-3H3;/q-1;+1 |
| Isomeric SMILES | [B-](CCC(=O)OC(C)(C)C)(F)(F)F.[K+] |
| PubChem CID | 49761675 |
| Molecular Weight | 236.08 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Boronic acid derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Boronic acid derivatives |
| Alternative Parents | Carboxylic acid esters Alkylhaloboranes Organic metalloid salts Organic metal halides Monocarboxylic acids and derivatives Organic potassium salts Organic oxides Monoalkylboranes Hydrocarbon derivatives Carbonyl compounds Organic cations |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Boronic acid derivative - Carboxylic acid ester - Alkylhaloborane - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic metalloid salt - Organic alkali metal salt - Organic metal halide - Carbonyl group - Organic potassium salt - Organic salt - Organooxygen compound - Organic metalloid moeity - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Monoalkylborane - Alkylborane - Organic cation - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as boronic acid derivatives. These are compounds comprising any derivative of the boronic acid functional group, with the general structure RB(X)Y (R=alkyl, aryl; X,Y= any O, N, Hal residue). |
| External Descriptors | Not available |
| Molecular Weight | 236.080 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 236.06 Da |
| Monoisotopic Mass | 236.06 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 188.000 |
| 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 | 2 |
