Cas no 606491-81-0 (3-(2,2-Difluoroacetyl)tetrahydro-2H-pyran-2-one)

3-(2,2-Difluoroacetyl)tetrahydro-2H-pyran-2-one structure
606491-81-0 structure
Product Name:3-(2,2-Difluoroacetyl)tetrahydro-2H-pyran-2-one
CAS No:606491-81-0
MF:C7H8F2O3
MW:178.133429527283
CID:953277
PubChem ID:45080781
Update Time:2025-04-19

3-(2,2-Difluoroacetyl)tetrahydro-2H-pyran-2-one Chemical and Physical Properties

Names and Identifiers

    • 2H-Pyran-2-one, 3-(difluoroacetyl)tetrahydro- (9CI)
    • 183279-72-3
    • 606491-81-0
    • 2H-Pyran-2-one, 3-(difluoroacetyl)tetrahydro-, (+)- (9CI)
    • (+)-3-(2,2-Difluoroacetyl)tetrahydro-2H-pyran-2-one
    • 2H-PYRAN-2-ONE, 3-(DIFLUOROACETYL)TETRAHYDRO-
    • 3-(2,2-Difluoroacetyl)tetrahydro-2H-pyran-2-one
    • DB-270420
    • Inchi: 1S/C7H8F2O3/c8-6(9)5(10)4-2-1-3-12-7(4)11/h4,6H,1-3H2
    • InChI Key: TYCSIVAPYYPNOW-UHFFFAOYSA-N
    • SMILES: FC(C(C1C(=O)OCCC1)=O)F

Computed Properties

  • Exact Mass: 178.04415044g/mol
  • Monoisotopic Mass: 178.04415044g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 203
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.3
  • Topological Polar Surface Area: 43.4?2
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