Cas no 174485-37-1 (1-(4-Fluorophenyl)hexan-3-one)

1-(4-Fluorophenyl)hexan-3-one structure
1-(4-Fluorophenyl)hexan-3-one structure
Product Name:1-(4-Fluorophenyl)hexan-3-one
CAS No:174485-37-1
MF:C12H15FO
MW:194.245307207108
CID:111719
PubChem ID:22113997
Update Time:2025-04-18

1-(4-Fluorophenyl)hexan-3-one Chemical and Physical Properties

Names and Identifiers

    • 1-(4-Fluorophenyl)hexan-3-one
    • 3-Hexanone,1-(4-fluorophenyl)-
    • 1-(4-Fluorophenyl)-3-hexanone
    • 1-(4-fluorophenyl)-hexan-3-one
    • 3-Hexanone,1-(4-fluorophenyl)
    • 1-(4-FLUORO-PHENYL)-HEXAN-3-ONE
    • DTXSID40622523
    • SCHEMBL6957846
    • 174485-37-1
    • FT-0690674
    • Inchi: 1S/C12H15FO/c1-2-3-12(14)9-6-10-4-7-11(13)8-5-10/h4-5,7-8H,2-3,6,9H2,1H3
    • InChI Key: RVBBTVUGQWQEEW-UHFFFAOYSA-N
    • SMILES: FC1C=CC(=CC=1)CCC(CCC)=O

Computed Properties

  • Exact Mass: 194.11100
  • Monoisotopic Mass: 194.110693260g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 5
  • Complexity: 171
  • 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
  • Surface Charge: 0
  • Tautomer Count: 3
  • XLogP3: 2.8
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • PSA: 17.07000
  • LogP: 3.12750

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