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CS-W001157 4
Total: USD 88.00

1-(4-(Trifluoromethyl)phenyl)pyrrolidine

  • CAS No. 113845-68-4

  • Cat. No. CS-0227080
  • Purity≥98%
  • MDL No.None

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

1-(4-(Trifluoromethyl)phenyl)pyrrolidine|CS-0227080

Structure of 113845-68-4

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General Information

  • CAS No. 113845-68-4
  • Cat. No. CS-0227080
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₂F₃N
  • Molecular Weight 215.21
  • Synonym(s) 1-(4-Trifluoromethylphenyl)pyrrolidine
  • SMILES FC(C1=CC=C(N2CCCC2)C=C1)(F)F

Description

1-(4-(Trifluoromethyl)phenyl)pyrrolidine features a trifluoromethyl-substituted phenyl group linked to a pyrrolidine ring, delivering enhanced lipophilicity and metabolic stability. This scaffold integrates readily into bioactive molecules, particularly in medicinal chemistry applications where electron-withdrawing fluorinated aromatics improve target affinity and membrane permeability. The compound exhibits bench-stable handling characteristics and compatibility with diverse synthetic transformations.

Application

1-(4-(Trifluoromethyl)phenyl)pyrrolidine serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive scaffolds through standard coupling and functionalization reactions. Its trifluoromethyl aryl group enhances metabolic stability and lipophilicity, while the pyrrolidine moiety provides a basic nitrogen for salt formation and hydrogen bonding. The compound exhibits excellent bench stability and compatibility with common synthetic transformations, facilitating efficient route development in API discovery programs.

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-H319-H335
Precautionary Statements : P261-P302+P352-P304+P340

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Computational Chemistry Data

  • TPSA   3.24
  • LogP   3.3056
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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