3-Fluorobicyclo[1.1.1]pentane-1-carboxylic acid

Name: 3-Fluorobicyclo[1.1.1]pentane-1-carboxylic acid
Brand: ChemScene
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CAS No. 146038-53-1
Cat. No. CS-W000150
Purity≥97%
MDL No.MFCD19228680

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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3-Fluorobicyclo[1.1.1]pentane-1-carboxylic acid|CS-W000150

Structure of 146038-53-1

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General Information

CAS No. 146038-53-1
Cat. No. CS-W000150
Purity ≥97%
MDL No. MFCD19228680
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₇FO₂
Molecular Weight 130.12
Synonym(s) None
SMILES OC(=O)C12CC(F)(C1)C2

Description

This strained bicyclic scaffold features a fluorinated cage that imparts enhanced metabolic stability and lipophilicity. The carboxylic acid functionality enables direct conjugation or salt formation, facilitating integration into bioactive molecules. Designed for probe development and medicinal chemistry, it offers a rigid, three-dimensional core with improved membrane permeability.

Application

3-Fluorobicyclo[1.1.1]pentane-1-carboxylic acid serves as a rigid, electron-withdrawing building block for medicinal chemistry and agrochemical discovery. Its strained bicyclic scaffold imparts high metabolic stability and conformational restriction, enabling precise spatial positioning of functional groups. The carboxylic acid moiety facilitates direct derivatization or salt formation, while the fluorine substituent enhances lipophilicity and modulates electronic properties. This compound demonstrates excellent bench stability and compatibility with standard coupling reactions, making it a practical tool for constructing bioactive molecules through robust, scalable synthetic routes.

Safety Information

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GHS Pictogram :	GHS No : GHS05,GHS07
Signal Word : Danger	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H315-H318-H335
Precautionary Statements : P260-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P312-P332+P313-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 37.3
LogP 0.9632
H_Acceptors 1
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Carboxylic Acid

Building Blocks Skeleton Bridge Rings compounds Other bridge ring compounds

Building Blocks Skeleton Fatty ring compounds Cyclobutane compounds

Key Words

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3-Fluorobicyclo[1.1.1]pentane-1-carboxylic acid

CAS No. 146038-53-1

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