Cas no 28781-80-8 (Propanoic acid, 3,3-difluoro-, ethyl ester)

Propanoic acid, 3,3-difluoro-, ethyl ester structure
28781-80-8 structure
Product Name:Propanoic acid, 3,3-difluoro-, ethyl ester
CAS No:28781-80-8
MF:C5H8F2O2
MW:138.112628936768
CID:1436542
PubChem ID:23184131
Update Time:2025-09-19

Propanoic acid, 3,3-difluoro-, ethyl ester Chemical and Physical Properties

Names and Identifiers

    • Propanoic acid, 3,3-difluoro-, ethyl ester
    • EN300-69796
    • CS-0258332
    • AB71794
    • ethyl3,3-difluoropropanoate
    • MFCD17480458
    • 28781-80-8
    • ethyl 3,3-difluoropropanoate
    • SCHEMBL973553
    • Inchi: 1S/C5H8F2O2/c1-2-9-5(8)3-4(6)7/h4H,2-3H2,1H3
    • InChI Key: RUXHZGKZALQIBK-UHFFFAOYSA-N
    • SMILES: FC(CC(=O)OCC)F

Computed Properties

  • Exact Mass: 138.04924
  • Monoisotopic Mass: 138.04923582g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 4
  • Complexity: 93
  • 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: 1.3
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • PSA: 26.3

Propanoic acid, 3,3-difluoro-, ethyl ester Pricemore >>

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