Cas no 118469-16-2 (1H-Benzimidazole,6-fluoro-1-(fluoromethyl)-2-methyl-)

1H-Benzimidazole,6-fluoro-1-(fluoromethyl)-2-methyl- structure
118469-16-2 structure
Product Name:1H-Benzimidazole,6-fluoro-1-(fluoromethyl)-2-methyl-
CAS No:118469-16-2
MF:C9H8F2N2
MW:182.170028686523
CID:132950
PubChem ID:45078133
Update Time:2025-04-19

1H-Benzimidazole,6-fluoro-1-(fluoromethyl)-2-methyl- Chemical and Physical Properties

Names and Identifiers

    • 1H-Benzimidazole,6-fluoro-1-(fluoromethyl)-2-methyl-
    • 1H-Benzimidazole,6-fluoro-1-(fluoromethyl)-2-methyl-(9CI)
    • 6-Fluoro-1-(fluoromethyl)-2-methyl-1H-benzo[d]imidazole
    • 118469-16-2
    • 6-Fluoro-1-(fluoromethyl)-2-methyl-1H-benzimidazole
    • DTXSID801222019
    • Inchi: 1S/C9H8F2N2/c1-6-12-8-3-2-7(11)4-9(8)13(6)5-10/h2-4H,5H2,1H3
    • InChI Key: QQACROPBGMSVER-UHFFFAOYSA-N
    • SMILES: FCN1C(C)=NC2C=CC(=CC1=2)F

Computed Properties

  • Exact Mass: 182.06564
  • Monoisotopic Mass: 182.066
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 189
  • 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
  • Topological Polar Surface Area: 17.8A^2
  • XLogP3: 2.3

Experimental Properties

  • PSA: 17.82
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