3,5,7-Trifluoroadamantane-1-carboxylic acid

Name: 3,5,7-Trifluoroadamantane-1-carboxylic acid
Brand: ChemScene
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CAS No. 214557-89-8
Cat. No. CS-0033427
Purity≥97%
MDL No.None

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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3,5,7-Trifluoroadamantane-1-carboxylic acid|CS-0033427

Structure of 214557-89-8

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General Information

CAS No. 214557-89-8
Cat. No. CS-0033427
Purity ≥97%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₁₃F₃O₂
Molecular Weight 234.21
Synonym(s) Tricyclo[3.3.1.13,7]decane-1-carboxylic acid, 3,5,7-trifluoro-
SMILES OC(C12C[C@@](C[C@@](C[C@@]3(F)C2)(F)C1)(C3)F)=O

Description

3,5,7-Trifluoroadamantane-1-carboxylic acid features a rigid, electron-deficient adamantane core functionalized with three fluorine atoms at the 3,5,7-positions, enhancing metabolic stability and lipophilicity. The carboxylic acid group enables direct conjugation or derivatization in synthetic applications. This molecule serves as a robust building block for bioactive scaffolds and materials requiring steric protection and controlled polarity.

Application

3,5,7-Trifluoroadamantane-1-carboxylic acid serves as a rigid, electron-deficient building block for medicinal chemistry and materials science. Its trifluoromethylated adamantane core imparts high metabolic stability and enhanced lipophilicity, while the carboxylic acid functionality enables straightforward derivatization via amide, ester, or acyl chloride formation. The molecule exhibits excellent bench stability and facilitates purification by recrystallization, making it well-suited for scalable synthesis of functionalized scaffolds in drug discovery and specialty polymer development.

Safety Information

Download SDS

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 37.3
LogP 2.5637
H_Acceptors 1
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Carboxylic Acid

Building Blocks Skeleton Bridge Rings compounds Adamantane compounds

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3,5,7-Trifluoroadamantane-1-carboxylic acid

CAS No. 214557-89-8

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