≥95% 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)(CC(CO)(C(F)(F)F)O)C1=CC(=CC2=C1OCC2)F |
|---|---|
| IUPAC Name | 4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-4-methyl-2-(trifluoromethyl)pentane-1,2-diol |
| InChIKey | XMTMIKDGIZFCBZ-UHFFFAOYSA-N |
| INCHI | 1S/C15H18F4O3/c1-13(2,7-14(21,8-20)15(17,18)19)11-6-10(16)5-9-3-4-22-12(9)11/h5-6,20-21H,3-4,7-8H2,1-2H3 |
| Isomeric SMILES | CC(C)(CC(CO)(C(F)(F)F)O)C1=CC(=CC2=C1OCC2)F |
| PubChem CID | 46939561 |
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 | Organoheterocyclic compounds |
| Class | Coumarans |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Coumarans |
| Alternative Parents | Alkyl aryl ethers Benzenoids Aryl fluorides Tertiary alcohols Fluorohydrins 1,2-diols Oxacyclic compounds Primary alcohols Organofluorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Coumaran - Alkyl aryl ether - Aryl fluoride - Aryl halide - Benzenoid - Tertiary alcohol - 1,2-diol - Fluorohydrin - Halohydrin - Ether - Oxacycle - Organohalogen compound - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Alkyl halide - Alkyl fluoride - Organofluoride - Organooxygen compound - Primary alcohol - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as coumarans. These are compounds containing the coumaran skeleton, which consists of a benzene ring fused to a 2,3-dihydrofuran ring. |
| External Descriptors | Not available |
| Molecular Weight | 322.290 g/mol |
|---|---|
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Exact Mass | 322.119 Da |
| Monoisotopic Mass | 322.119 Da |
| Topological Polar Surface Area | 49.700 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 399.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
