(1R,4R)-4-ethyl-4'-(3,4,5-trifluorophenyl)-1,1'-bi(cyclohexane)

Name: (1R,4R)-4-ethyl-4'-(3,4,5-trifluorophenyl)-1,1'-bi(cyclohexane)
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CAS No. 139215-80-8
Cat. No. CS-0153909
Purity≥97%
MDL No.MFCD12911825

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(1R,4R)-4-ethyl-4'-(3,4,5-trifluorophenyl)-1,1'-bi(cyclohexane)|CS-0153909

Structure of 139215-80-8

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General Information

CAS No. 139215-80-8
Cat. No. CS-0153909
Purity ≥97%
MDL No. MFCD12911825
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₂₀H₂₇F₃
Molecular Weight 324.42
Synonym(s) (1R,4r)-4-ethyl-4'-(3,4,5-trifluorophenyl)bi(cyclohexane)
SMILES CC[C@H]1CC[C@@H](CC1)[C@H]2CC[C@@H](CC2)C3=CC(=C(C(=C3)F)F)F

Description

This chiral cyclohexane-based scaffold features a sterically defined ethyl substituent and a trifluorophenyl moiety positioned for orthogonal reactivity. The rigid, bench-stable framework supports asymmetric synthesis and enables precise spatial control in ligand design or molecular scaffold development.

Application

(1R,4R)-4-ethyl-4'-(3,4,5-trifluorophenyl)-1,1'-bi(cyclohexane) serves as a rigid, chiral bis-cyclohexyl scaffold enabling precise spatial control in asymmetric synthesis. Its trifluorophenyl moiety enhances metabolic stability and modulates lipophilicity, while the ethyl substituent provides favorable steric and electronic tuning. The molecule exhibits excellent bench stability and facilitates efficient functionalization in standard coupling reactions, making it a practical building block for medicinal chemistry campaigns targeting GPCR ligands and kinase inhibitors.

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-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 0
LogP 6.5941
H_Acceptors 0
H_Donors 0
Rotatable_Bonds 3

Other Classifications

Building Blocks Functional Group Fluoride

Building Blocks Skeleton Chiral compounds Chiral Building Blocks

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Material Science Electronic Materials Liquid Crystal (LC) Materials Nematic Liquid Crystals, Smectic Liquid Crystals

Key Words

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(1R,4R)-4-ethyl-4'-(3,4,5-trifluorophenyl)-1,1'-bi(cyclohexane)

CAS No. 139215-80-8

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