Cas no 1240528-02-2 (3-Fluoroazepane)

3-Fluoroazepane is a fluorinated heterocyclic compound featuring a seven-membered azepane ring with a fluorine substituent at the 3-position. This structural modification enhances its utility as a versatile intermediate in medicinal chemistry and pharmaceutical research, particularly in the development of bioactive molecules. The fluorine atom imparts improved metabolic stability and binding affinity, making it valuable for drug design applications. Its rigid yet flexible ring system allows for precise steric and electronic tuning in target interactions. The compound is typically handled under controlled conditions due to its reactivity, and its purity is critical for reproducible synthetic outcomes. Suitable for use in cross-coupling reactions and as a scaffold for further functionalization.
3-Fluoroazepane structure
3-Fluoroazepane structure
Product Name:3-Fluoroazepane
CAS No:1240528-02-2
MF:C6H12FN
MW:117.164585113525
MDL:MFCD16547755
CID:4564223
Update Time:2025-05-28

3-Fluoroazepane Chemical and Physical Properties

Names and Identifiers

    • 3-fluoroazepane
    • AM806514
    • 3-Fluoroazepane
    • MDL: MFCD16547755
    • Inchi: 1S/C6H12FN/c7-6-3-1-2-4-8-5-6/h6,8H,1-5H2
    • InChI Key: KXEWKVSEVOAHDZ-UHFFFAOYSA-N
    • SMILES: FC1CNCCCC1

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 0
  • Complexity: 65.5
  • XLogP3: 1.1
  • Topological Polar Surface Area: 12

3-Fluoroazepane Pricemore >>

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