≥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 | C=CC(=O)OC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC(=O)C=C)(C(F)(F)F)C(F)(F)F |
|---|---|
| IUPAC Name | [4-[1,1,1,3,3,3-hexafluoro-2-(4-prop-2-enoyloxyphenyl)propan-2-yl]phenyl] prop-2-enoate |
| InChIKey | SZTUJDINRYGMRV-UHFFFAOYSA-N |
| INCHI | 1S/C21H14F6O4/c1-3-17(28)30-15-9-5-13(6-10-15)19(20(22,23)24,21(25,26)27)14-7-11-16(12-8-14)31-18(29)4-2/h3-12H,1-2H2 |
| Isomeric SMILES | C=CC(=O)OC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC(=O)C=C)(C(F)(F)F)C(F)(F)F |
| PubChem CID | 2775004 |
| Molecular Weight | 444.32 |
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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Diphenylmethanes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diphenylmethanes |
| Alternative Parents | Phenol esters Phenoxy compounds Dicarboxylic acids and derivatives Acrylic acid esters Enoate esters Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Diphenylmethane - Phenol ester - Phenoxy compound - Acrylic acid ester - Dicarboxylic acid or derivatives - Acrylic acid or derivatives - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Carboxylic acid derivative - Alkyl fluoride - Organofluoride - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Alkyl halide - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups. |
| External Descriptors | Not available |
| Molecular Weight | 444.300 g/mol |
|---|---|
| XLogP3 | 6.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 8 |
| Exact Mass | 444.08 Da |
| Monoisotopic Mass | 444.08 Da |
| Topological Polar Surface Area | 52.600 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 610.000 |
| 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 |
![[4-[1,1,1,3,3,3-Hexafluoro-2-(4-prop-2-enoyloxyphenyl)propan-2-yl]phenyl] prop-2-enoate - ≥98% , CAS No.108050-41-5](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)