≥96% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504756899 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504756899 |
| Canonical Smiles | COC(=O)C(C(C(C(=O)OC)(F)F)(F)F)(F)F |
| IUPAC Name | dimethyl 2,2,3,3,4,4-hexafluoropentanedioate |
| InChIKey | PJZVBCPDYSZAJU-UHFFFAOYSA-N |
| INCHI | 1S/C7H6F6O4/c1-16-3(14)5(8,9)7(12,13)6(10,11)4(15)17-2/h1-2H3 |
| Isomeric SMILES | COC(=O)C(C(C(C(=O)OC)(F)F)(F)F)(F)F |
| Molecular Weight | 268.11 |
| Beilstein | 2(3)1693 |
| Reaxy-Rn | 1803298 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1803298&ln= |
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 | Lipids and lipid-like molecules |
| Class | Fatty Acyls |
| Subclass | Fatty acid esters |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Fatty acid esters |
| Alternative Parents | Dicarboxylic acids and derivatives Methyl esters Alpha-halocarboxylic acid derivatives Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Fatty acid ester - Dicarboxylic acid or derivatives - Alpha-halocarboxylic acid derivative - Alpha-halocarboxylic acid or derivatives - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Organofluoride - Organohalogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Alkyl fluoride - Organooxygen compound - Alkyl halide - Hydrocarbon derivative - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. |
| External Descriptors | Not available |
| Refractive Index | 1.35 |
|---|---|
| Boil Point(°C) | 100°C/34mmHg(lit.) |
| Melt Point(°C) | -32°C(lit.) |
| Molecular Weight | 268.110 g/mol |
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 6 |
| Exact Mass | 268.017 Da |
| Monoisotopic Mass | 268.017 Da |
| Topological Polar Surface Area | 52.600 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 296.000 |
| 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 |
| 1. Junyan Wu, Hemin Gao, Diandian Shi, Yufei Yang, Yadong Zhang, Weixia Zhu. (2019) Cationic gemini surfactants containing both amide and ester groups: Synthesis, surface properties and antibacterial activity. JOURNAL OF MOLECULAR LIQUIDS, [PMID:] [10.1016/j.molliq.2019.112248] |
| 2. Wang Guoqiang, Yu Yiheng, Zhang Mengke, Shi Longqing, Hu Hongliang, Jin Yujie, Hu Jing. (2025) 1,4-Cyclohexanedimethanol-based polyesters derived from 1,4-cyclohexanedimethanol (CHDM) and aliphatic diacids with odd carbons. POLYMER BULLETIN, [PMID:] [10.1007/s00289-025-05887-0] |
B2308618