Cas no 101513-68-2 (Benzoyl fluoride,2,3,4,5-tetrafluoro-)

Benzoyl fluoride,2,3,4,5-tetrafluoro- structure
101513-68-2 structure
Product Name:Benzoyl fluoride,2,3,4,5-tetrafluoro-
CAS No:101513-68-2
MF:C7HF5O
MW:196.074259519577
CID:124673
PubChem ID:10198060
Update Time:2025-04-18

Benzoyl fluoride,2,3,4,5-tetrafluoro- Chemical and Physical Properties

Names and Identifiers

    • Benzoyl fluoride,2,3,4,5-tetrafluoro-
    • 2,3,4,5-tetrafluorobenzoyl fluoride
    • Benzoyl fluoride, 2,3,4,5-tetrafluoro- (9CI)
    • Benzoyl fluoride, 2,3,4,5-tetrafluoro-
    • ZYEWNAMVVRPNJX-UHFFFAOYSA-N
    • 101513-68-2
    • DTXSID40436642
    • SCHEMBL4851418
    • DB-275026
    • Inchi: 1S/C7HF5O/c8-3-1-2(7(12)13)4(9)6(11)5(3)10/h1H
    • InChI Key: ZYEWNAMVVRPNJX-UHFFFAOYSA-N
    • SMILES: FC1C(=C(C(=CC=1C(=O)F)F)F)F

Computed Properties

  • Exact Mass: 195.99473
  • Monoisotopic Mass: 195.99475546g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 209
  • 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: 2.3
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • PSA: 17.07
  • LogP: 2.35270
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