Cas no 819792-52-4 (2-Propen-1-one, 3-phenyl-1-[3-(trifluoromethyl)phenyl]-)

2-Propen-1-one, 3-phenyl-1-[3-(trifluoromethyl)phenyl]- structure
819792-52-4 structure
Product Name:2-Propen-1-one, 3-phenyl-1-[3-(trifluoromethyl)phenyl]-
CAS No:819792-52-4
MF:C16H11F3O
MW:276.253154993057
CID:702464
PubChem ID:4457728
Update Time:2025-04-19

2-Propen-1-one, 3-phenyl-1-[3-(trifluoromethyl)phenyl]- Chemical and Physical Properties

Names and Identifiers

    • 2-Propen-1-one, 3-phenyl-1-[3-(trifluoromethyl)phenyl]-
    • 3-phenyl-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
    • 3-Phenyl-1-(3-(trifluoromethyl)phenyl)prop-2-en-1-one
    • PBGSCTPDAVCTBJ-UHFFFAOYSA-N
    • AKOS017085819
    • 819792-52-4
    • DTXSID70403488
    • 3'-trifluoromethylchalcone
    • Inchi: 1S/C16H11F3O/c17-16(18,19)14-8-4-7-13(11-14)15(20)10-9-12-5-2-1-3-6-12/h1-11H
    • InChI Key: PBGSCTPDAVCTBJ-UHFFFAOYSA-N
    • SMILES: FC(C1C=CC=C(C(C=CC2C=CC=CC=2)=O)C=1)(F)F

Computed Properties

  • Exact Mass: 276.07619946g/mol
  • Monoisotopic Mass: 276.07619946g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 3
  • Complexity: 353
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 1
  • XLogP3: 4
  • Topological Polar Surface Area: 17.1?2

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