Cas no 94856-23-2 (1,3-Butanedione, 4,4,4-trifluoro-1-[2-(trifluoromethyl)phenyl]-)

1,3-Butanedione, 4,4,4-trifluoro-1-[2-(trifluoromethyl)phenyl]- structure
94856-23-2 structure
Product Name:1,3-Butanedione, 4,4,4-trifluoro-1-[2-(trifluoromethyl)phenyl]-
CAS No:94856-23-2
MF:C11H6F6O2
MW:284.154564380646
MDL:MFCD09064933
CID:735157
PubChem ID:43186935
Update Time:2025-04-19

1,3-Butanedione, 4,4,4-trifluoro-1-[2-(trifluoromethyl)phenyl]- Chemical and Physical Properties

Names and Identifiers

    • 1,3-Butanedione, 4,4,4-trifluoro-1-[2-(trifluoromethyl)phenyl]-
    • 4,4,4-TRIFLUORO-1-(2-TRIFLUOROMETHYLPHENYL)-1,3-BUTANEDIONE
    • 4,4,4-trifluoro-1-[2-(trifluoromethyl)phenyl]butane-1,3-dione
    • (2-Trifluoromethylbenzoyl)-3,3,3-trifluoroacetone
    • DTXSID60655696
    • 4,4,4-trifluoro-1-(2-trifluoromethyl-phenyl)-butane-1,3-dione
    • 94856-23-2
    • SCHEMBL3474396
    • AB86705
    • AKOS000210746
    • MDL: MFCD09064933
    • Inchi: 1S/C11H6F6O2/c12-10(13,14)7-4-2-1-3-6(7)8(18)5-9(19)11(15,16)17/h1-4H,5H2
    • InChI Key: VVNAKZIRVIKGQU-UHFFFAOYSA-N
    • SMILES: FC(C1C=CC=CC=1C(CC(C(F)(F)F)=O)=O)(F)F

Computed Properties

  • Exact Mass: 284.02700
  • Monoisotopic Mass: 284.02719840g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 5
  • Complexity: 357
  • 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: 3.5
  • Topological Polar Surface Area: 34.1?2

Experimental Properties

  • PSA: 34.14000
  • LogP: 3.40960

1,3-Butanedione, 4,4,4-trifluoro-1-[2-(trifluoromethyl)phenyl]- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Fluorochem
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Chemenu
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SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
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A2B Chem LLC
AC72269-250mg
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A2B Chem LLC
AC72269-1g
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A2B Chem LLC
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