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2H-Perfluoro-5-methyl-3,6-dioxanonane - 97%, high purity , CAS No.3330-14-1
Basic Description
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 Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
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.
Names and Identifiers
Pubchem Sid
488187319
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
INCHI
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
InChIKey
PYSYKOPZHYNYSZ-UHFFFAOYSA-N
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
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=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
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
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