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CS-W001157 4
Total: USD 88.00

3-(Trifluoromethyl)cyclohexanone

  • CAS No. 585-36-4

  • Cat. No. CS-0067144
  • Molecule weight166.14
  • Purity≥97%
  • MDL No.MFCD00034662

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

3-(Trifluoromethyl)cyclohexanone|CS-0067144

Structure of 585-36-4

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General Information

  • CAS No. 585-36-4
  • Cat. No. CS-0067144
  • Purity ≥97%
  • MDL No. MFCD00034662
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₉F₃O
  • Molecular Weight 166.14
  • Synonym(s) 3-trifluoromethylcyclohexan-1-one
  • SMILES O=C1CC(C(F)(F)F)CCC1

Description

3-(Trifluoromethyl)cyclohexanone features a trifluoromethyl group attached to a cyclohexanone ring, delivering enhanced electron-withdrawing character and metabolic stability. This configuration supports its use in medicinal chemistry scaffolds and as a building block for bioactive molecules requiring high lipophilicity and resistance to oxidative degradation under standard conditions.

Application

3-(Trifluoromethyl)cyclohexanone serves as a versatile building block in medicinal chemistry and synthetic organic chemistry, enabling efficient access to fluorinated cyclic scaffolds. Its trifluoromethyl group imparts enhanced metabolic stability and lipophilicity, while the ketone functionality facilitates nucleophilic additions, reductions, and enolate-based transformations. The compound exhibits good bench stability and is compatible with standard functional group manipulations, making it a practical choice for constructing complex heterocyclic and bioactive molecular frameworks.

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 : H315-H317-H319-H335
Precautionary Statements : P261-P264-P271-P272-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   2.308
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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