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3,3-Difluorocyclobutanone

  • CAS No. 1273564-99-0

  • Cat. No. CS-0040514
  • Molecule weight106.07
  • Purity≥95%
  • MDL No.MFCD18791190

*For research and further manufacturing use only, not for direct human use.

3,3-Difluorocyclobutanone|CS-0040514

Structure of 1273564-99-0

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General Information

  • CAS No. 1273564-99-0
  • Cat. No. CS-0040514
  • Purity ≥95%
  • MDL No. MFCD18791190
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₄F₂O
  • Molecular Weight 106.07
  • Synonym(s) 3,3-Difluorocyclobutanone - D11667
  • SMILES O=C1CC(F)(F)C1

Description

3,3-Difluorocyclobutanone features a strained cyclobutanone ring bearing two fluorine atoms at the C3 position, conferring enhanced electrophilicity and metabolic stability. This difluorinated scaffold serves as a valuable building block in medicinal chemistry, enabling incorporation into bioactive molecules where lipophilicity and resistance to oxidative degradation are critical.

Application

3,3-Difluorocyclobutanone serves as a valuable building block in medicinal chemistry, enabling the construction of fluorinated heterocyclic scaffolds through established cycloaddition and nucleophilic addition reactions. Its strained ring system enhances reactivity while maintaining bench stability, facilitating efficient functionalization under mild conditions. The geminal difluoro substitution imparts metabolic stability and modulates electronic properties, making it particularly useful in optimizing pharmacokinetic profiles.

Safety Information

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GHS Pictogram :
GHS No : GHS02
Signal Word : Warning
UN#: 1993
Class : 3
Packing Group : Ⅲ
Hazard Statements : H226
Precautionary Statements : P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501

Quality Control

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   0.9846
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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