Cas no 559-29-5 (Butane, 1,1,1,2,2,3,3,4,4-nonafluoro-4-(trifluoromethoxy)-)

Butane, 1,1,1,2,2,3,3,4,4-nonafluoro-4-(trifluoromethoxy)- structure
559-29-5 structure
Product Name:Butane, 1,1,1,2,2,3,3,4,4-nonafluoro-4-(trifluoromethoxy)-
CAS No:559-29-5
MF:C5F12O
MW:304.033743858337
CID:1595910
PubChem ID:11403934
Update Time:2025-04-21

Butane, 1,1,1,2,2,3,3,4,4-nonafluoro-4-(trifluoromethoxy)- Chemical and Physical Properties

Names and Identifiers

    • Butane, 1,1,1,2,2,3,3,4,4-nonafluoro-4-(trifluoromethoxy)-
    • 1,1,1,2,2,3,3,4,4-nonafluoro-4-(trifluoromethoxy)butane
    • (Trifluoromethyl)(nonafluorobutyl) ether
    • perfluorobutylmethylether
    • SCHEMBL1095200
    • 559-29-5
    • Trifluoromethyl perfluorobutyl ether
    • DTXSID30464878
    • PGISRKZDCUNMRX-UHFFFAOYSA-N
    • Inchi: 1S/C5F12O/c6-1(7,3(10,11)12)2(8,9)4(13,14)18-5(15,16)17
    • InChI Key: PGISRKZDCUNMRX-UHFFFAOYSA-N
    • SMILES: FC(C(OC(F)(F)F)(F)F)(C(C(F)(F)F)(F)F)F

Computed Properties

  • Exact Mass: 303.9757
  • Monoisotopic Mass: 303.9757526g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 13
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 3
  • Complexity: 297
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.5
  • Topological Polar Surface Area: 9.2?2

Experimental Properties

  • PSA: 9.23

Butane, 1,1,1,2,2,3,3,4,4-nonafluoro-4-(trifluoromethoxy)- Production Method

Production Method 1

Reaction Conditions
1.1R:CoF3, R:CaF2
Reference
Free radical chemistry. Part 5. A new approach to the synthesis of perfluorinated ethers
By Chambers, Richard D. et al, Journal of Fluorine Chemistry, 1985, 29(3), 323-39

Butane, 1,1,1,2,2,3,3,4,4-nonafluoro-4-(trifluoromethoxy)- Raw materials

Butane, 1,1,1,2,2,3,3,4,4-nonafluoro-4-(trifluoromethoxy)- Preparation Products

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