Cas no 124700-26-1 (4-Fluoro-phenyl Propargyl Ether)

4-Fluoro-phenyl Propargyl Ether is a fluorinated aromatic ether compound featuring a propargyl functional group. Its molecular structure combines the electron-withdrawing properties of the fluorine substituent with the reactivity of the terminal alkyne, making it a versatile intermediate in organic synthesis. The compound is particularly useful in click chemistry applications, such as copper-catalyzed azide-alkyne cycloaddition (CuAAC), due to its propargyl moiety. The fluorine atom enhances its utility in pharmaceutical and agrochemical research, where fluorinated analogs are often sought for improved metabolic stability and bioavailability. This compound is typically handled under inert conditions to preserve its reactivity and purity.
4-Fluoro-phenyl Propargyl Ether structure
124700-26-1 structure
Product Name:4-Fluoro-phenyl Propargyl Ether
CAS No:124700-26-1
MF:C9H7FO
MW:150.149686098099
CID:103691
PubChem ID:14513183
Update Time:2025-06-07

4-Fluoro-phenyl Propargyl Ether Chemical and Physical Properties

Names and Identifiers

    • Benzene,1-fluoro-4-(2-propyn-1-yloxy)-
    • 1-fluoro-4-prop-2-ynoxybenzene
    • AS-64120
    • Benzene, 1-fluoro-4-(2-propynyloxy)- (9CI)
    • SCHEMBL3830326
    • 1-Fluoro-4-[(prop-2-yn-1-yl)oxy]benzene
    • Benzene, 1-fluoro-4-(2-propyn-1-yloxy)-
    • 4-Fluoro-phenylpropargylether
    • MFCD14631204
    • 4-Fluoro-phenyl propargyl ether
    • CS-0217222
    • Z54473259
    • 124700-26-1
    • W16560
    • DTXSID80561164
    • AKOS008950589
    • EN300-71397
    • 4-fluorophenyl propargyl ether
    • 1-fluoro-4-(prop-2-yn-1-yloxy)benzene
    • DB-273894
    • Benzene, 1-fluoro-4-(2-propynyloxy)-
    • 4-Fluoro-phenyl Propargyl Ether
    • Inchi: 1S/C9H7FO/c1-2-7-11-9-5-3-8(10)4-6-9/h1,3-6H,7H2
    • InChI Key: KVRJLSPSYFYNAA-UHFFFAOYSA-N
    • SMILES: FC1C=CC(=CC=1)OCC#C

Computed Properties

  • Exact Mass: 150.04811
  • Monoisotopic Mass: 150.048093005g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 150
  • 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: 2.1
  • Topological Polar Surface Area: 9.2?2

Experimental Properties

  • PSA: 9.23

4-Fluoro-phenyl Propargyl Ether Pricemore >>

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