2H-Perfluoro-5-methyl-3,6-dioxanonane - ≥97% , CAS No.3330-14-1

CAS: 3330-14-1 Cat. No.: H338187 Molecular Weight: 452.07

GRADE & PURITY ≥97%

Synonyms

1,1,1,2,2,3,3-heptafluoro-3-{[1,1,1,2,3,3-hexafluoro-3-(1,2,2,2-tetrafluoroethoxy)propan-2-yl]oxy}propane | H1624 | D91056 | 2H-Perfluoro-5-methyl-3,6-dioxanonane | CF3CFHOCF2CF(CF3)OCF2CF2CF3 | FT-0612506 | MFCD00054714 | 1,1,1,2,2,3,3-Heptafluoro-3-(1,1

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

1, 1, 1, 2, 2, 3, 3-heptafluoro-3-{[1, 1, 1, 2, 3, 3-hexafluoro-3-(1, 2, 2, 2-tetrafluoroethoxy)propan-2-yl]oxy}propane | H1624 | D91056 | 2H-Perfluoro-5-methyl-3, 6-dioxanonane | CF3CFHOCF2CF(CF3)OCF2CF2CF3 | FT-0612506 | MFCD00054714 | 1, 1, 1, 2, 2, 3, 3-Heptafluoro-3-(1, 1

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488187319
• Canonical Smiles: C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F
• IUPAC Name: 1,1,1,2,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-(1,2,2,2-tetrafluoroethoxy)propane
• InChIKey: PYSYKOPZHYNYSZ-UHFFFAOYSA-N
• INCHI: 1S/C8HF17O2/c9-1(2(10,11)12)26-8(24,25)4(15,6(19,20)21)27-7(22,23)3(13,14)5(16,17)18/h1H
• Isomeric SMILES: C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F
• Molecular Weight: 452.07
• Reaxy-Rn: 2065627
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2065627&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Class Organofluorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: Organofluorides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organofluorides
• Alternative Parents: Organooxygen compounds Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Alkyl halide - Alkyl fluoride - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organofluorides. These are compounds containing a chemical bond between a carbon atom and a fluorine atom.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Boil Point(°C): 105 °C
• Melt Point(°C): -122° C
• Molecular Weight: 452.060 g/mol
• XLogP3: 6.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 19
• Rotatable Bond Count: 6
• Exact Mass: 451.971 Da
• Monoisotopic Mass: 451.971 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 514.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1