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Fluroxene (2，2，2-Trifluoroethyl vinyl ether) - ≥98%, high purity , CAS No.406-90-6
Cas Number: 406-90-6
Molecular Weight: 126.08
PubChem CID:
9844
Basic Description
Specifications & Purity
≥98%
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.
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
2-ethenoxy-1,1,1-trifluoroethane
INCHI
InChI=1S/C4H5F3O/c1-2-8-3-4(5,6)7/h2H,1,3H2
InChIKey
DLEGDLSLRSOURQ-UHFFFAOYSA-N
Smiles
C=COCC(F)(F)F
Isomeric SMILES
C=COCC(F)(F)F
PubChem CID
9844
UN Number
1993
Packing Group
I
Molecular Weight
126.08
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
126.080 g/mol
XLogP3
1.900
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
126.029 Da
Monoisotopic Mass
126.029 Da
Topological Polar Surface Area
9.200 Ų
Heavy Atom Count
8
Formal Charge
0
Complexity
75.800
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
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