Cas no 2408970-46-5 (2-[2-(4-Fluorophenyl)ethyl]-3,3-dimethylbutanoic acid)

2-[2-(4-Fluorophenyl)ethyl]-3,3-dimethylbutanoic acid structure
2408970-46-5 structure
Product Name:2-[2-(4-Fluorophenyl)ethyl]-3,3-dimethylbutanoic acid
CAS No:2408970-46-5
MF:C14H19FO2
MW:238.297868013382
CID:5355289
Update Time:2023-08-28

2-[2-(4-Fluorophenyl)ethyl]-3,3-dimethylbutanoic acid Chemical and Physical Properties

Names and Identifiers

    • 2-[2-(4-fluorophenyl)ethyl]-3,3-dimethylbutanoic acid
    • Z4175487303
    • 2-[2-(4-Fluorophenyl)ethyl]-3,3-dimethyl-butanoic acid
    • 2-[2-(4-Fluorophenyl)ethyl]-3,3-dimethylbutanoic acid
    • Inchi: 1S/C14H19FO2/c1-14(2,3)12(13(16)17)9-6-10-4-7-11(15)8-5-10/h4-5,7-8,12H,6,9H2,1-3H3,(H,16,17)
    • InChI Key: XYBDIYKHTMPWEX-UHFFFAOYSA-N
    • SMILES: FC1C=CC(=CC=1)CCC(C(=O)O)C(C)(C)C

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 5
  • Complexity: 249
  • XLogP3: 3.9
  • Topological Polar Surface Area: 37.3

2-[2-(4-Fluorophenyl)ethyl]-3,3-dimethylbutanoic acid Pricemore >>

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