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CS-W001157 4
Total: USD 88.00

4,4-Difluorocyclohexanone

  • CAS No. 22515-18-0

  • Cat. No. CS-W007368
  • Purity≥98%
  • MDL No.MFCD08146635

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

4,4-Difluorocyclohexanone|CS-W007368

Structure of 22515-18-0

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General Information

  • CAS No. 22515-18-0
  • Cat. No. CS-W007368
  • Purity ≥98%
  • MDL No. MFCD08146635
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₈F₂O
  • Molecular Weight 134.12
  • Synonym(s) 4,4-difluro-cyclohexanone
  • SMILES FC1(CCC(CC1)=O)F

Description

4,4-Difluorocyclohexanone features a strained cyclohexanone core bearing two fluorine atoms at the C4 position, enhancing electrophilicity and directing regioselective functionalization. This bench-stable ketone integrates readily into synthetic sequences requiring polarized carbonyl reactivity with improved metabolic stability in bioactive molecule design.

Application

4,4-Difluorocyclohexanone serves as a valuable building block in medicinal chemistry and synthetic organic chemistry, offering enhanced metabolic stability and altered electronic properties due to the geminal difluoro substitution. Its carbonyl group enables reliable enolization, nucleophilic addition, and conjugate addition reactions, while the fluorine atoms provide favorable lipophilicity and steric profile. The compound exhibits good bench stability and is compatible with standard functional group manipulations, facilitating its use in constructing fluorinated heterocycles and bioactive scaffolds.

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   1.7648
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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