Cas no 1354953-18-6 (4-(3-fluorophenyl)-3-methylbutanoic acid)

4-(3-Fluorophenyl)-3-methylbutanoic acid is a fluorinated organic compound featuring a phenyl ring substituted with a fluorine atom at the meta-position and a branched carboxylic acid side chain. This structure imparts unique physicochemical properties, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. The fluorine substitution enhances metabolic stability and bioavailability, while the carboxylic acid group allows for further functionalization via esterification or amidation. Its well-defined stereochemistry and high purity make it suitable for precision applications in medicinal chemistry, particularly in the development of bioactive molecules. The compound’s stability under standard storage conditions ensures consistent performance in synthetic workflows.
4-(3-fluorophenyl)-3-methylbutanoic acid structure
1354953-18-6 structure
Product Name:4-(3-fluorophenyl)-3-methylbutanoic acid
CAS No:1354953-18-6
MF:C11H13FO2
MW:196.218127012253
MDL:MFCD20731267
CID:4592551
PubChem ID:56828175
Update Time:2025-06-08

4-(3-fluorophenyl)-3-methylbutanoic acid Chemical and Physical Properties

Names and Identifiers

    • 4-(3-fluorophenyl)-3-methylbutanoic acid
    • MDL: MFCD20731267
    • Inchi: 1S/C11H13FO2/c1-8(6-11(13)14)5-9-3-2-4-10(12)7-9/h2-4,7-8H,5-6H2,1H3,(H,13,14)
    • InChI Key: FYEXALRDBDWCEW-UHFFFAOYSA-N
    • SMILES: C(O)(=O)CC(C)CC1=CC=CC(F)=C1

Computed Properties

  • Exact Mass: 196.08995782g/mol
  • Monoisotopic Mass: 196.08995782g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 194
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.6
  • Topological Polar Surface Area: 37.3?2

4-(3-fluorophenyl)-3-methylbutanoic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
F589375-10mg
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$ 70.00 2022-06-05
TRC
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$ 210.00 2022-06-05
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$ 340.00 2022-06-05
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