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CS-W001157 4
Total: USD 88.00

1-(4,4-Difluorocyclohexyl)ethan-1-one

  • CAS No. 121629-16-1

  • Cat. No. CS-0455308
  • Molecule weight162.18
  • Purity≥98%
  • MDL No.MFCD20257861

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

1-(4,4-Difluorocyclohexyl)ethan-1-one|CS-0455308

Structure of 121629-16-1

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General Information

  • CAS No. 121629-16-1
  • Cat. No. CS-0455308
  • Purity ≥98%
  • MDL No. MFCD20257861
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₂F₂O
  • Molecular Weight 162.18
  • Synonym(s) Ethanone, 1-(4,4-difluorocyclohexyl)- (9CI)
  • SMILES CC(=O)C1CCC(CC1)(F)F

Description

1-(4,4-Difluorocyclohexyl)ethan-1-one features a sterically hindered cyclohexyl core with two fluorine atoms at the geminal 4-position, imparting enhanced metabolic stability and lipophilicity. This difluorinated ketone serves as a key building block in medicinal chemistry for probing bioactive conformational preferences and improving membrane permeability in CNS-targeted compounds.

Application

1-(4,4-Difluorocyclohexyl)ethan-1-one serves as a versatile building block in medicinal chemistry, enabling the incorporation of a rigid, lipophilic difluorocyclohexyl moiety into target molecules. The ketone functionality facilitates downstream transformations such as reductive amination, Grignard additions, and nucleophilic conjugate additions. Its bench-stable nature and compatibility with diverse reaction conditions make it well-suited for iterative synthesis campaigns and API scaffold development.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H320-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   2.4009
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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