Cas no 108665-40-3 (4,5-bis(trifluoromethyl)phenanthrene)

4,5-bis(trifluoromethyl)phenanthrene structure
108665-40-3 structure
Product Name:4,5-bis(trifluoromethyl)phenanthrene
CAS No:108665-40-3
MF:C16H8F6
MW:314.225145339966
CID:1190117
PubChem ID:13977924
Update Time:2025-04-20

4,5-bis(trifluoromethyl)phenanthrene Chemical and Physical Properties

Names and Identifiers

    • 4,5-bis(trifluoromethyl)phenanthrene
    • DTXSID50553652
    • 108665-40-3
    • Inchi: 1S/C16H8F6/c17-15(18,19)11-5-1-3-9-7-8-10-4-2-6-12(16(20,21)22)14(10)13(9)11/h1-8H
    • InChI Key: WMVRTPKPMUJGBE-UHFFFAOYSA-N
    • SMILES: FC(C1C=CC=C2C=CC3C=CC=C(C(F)(F)F)C=3C2=1)(F)F

Computed Properties

  • Exact Mass: 314.05304
  • Monoisotopic Mass: 314.05301923g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 0
  • Complexity: 360
  • 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: 6.2
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • PSA: 0
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