Cas no 161809-65-0 (1,1,1-trifluoro-3-3-(trifluoromethyl)phenylpropan-2-one)

1,1,1-trifluoro-3-3-(trifluoromethyl)phenylpropan-2-one structure
161809-65-0 structure
Product Name:1,1,1-trifluoro-3-3-(trifluoromethyl)phenylpropan-2-one
CAS No:161809-65-0
MF:C10H6F6O
MW:256.144464015961
MDL:MFCD00098427
CID:2621381
PubChem ID:2781476
Update Time:2025-04-21

1,1,1-trifluoro-3-3-(trifluoromethyl)phenylpropan-2-one Chemical and Physical Properties

Names and Identifiers

    • 1,1,1-trifluoro-3-3-(trifluoromethyl)phenylpropan-2-one
    • NKWDQRUFRMHMKB-UHFFFAOYSA-N
    • SCHEMBL17961023
    • EN300-1936447
    • 1,1,1-Trifluoro-3-[3-(trifluoromethyl)phenyl]-2-propanone
    • AKOS009159344
    • 161809-65-0
    • DTXSID301197362
    • MFCD00098427
    • 1,1,1-trifluoro-3-(3-(trifluoromethyl)phenyl)propan-2-one
    • 1,1,1-trifluoro-3-[3-(trifluoromethyl)phenyl]propan-2-one
    • 2-Propanone, 1,1,1-trifluoro-3-[3-(trifluoromethyl)phenyl]-
    • MDL： MFCD00098427
    • Inchi： 1S/C10H6F6O/c11-9(12,13)7-3-1-2-6(4-7)5-8(17)10(14,15)16/h1-4H,5H2
    • InChI Key： NKWDQRUFRMHMKB-UHFFFAOYSA-N
    • SMILES： FC(C1=CC=CC(=C1)CC(C(F)(F)F)=O)(F)F

Computed Properties

  • Exact Mass: 256.03228378Da
  • Monoisotopic Mass: 256.03228378Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 280
  • 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: 3.9
  • Topological Polar Surface Area: 17.1?2

1,1,1-trifluoro-3-3-(trifluoromethyl)phenylpropan-2-one Pricemore >>

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