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3-(Dimethylamino)-4,4,4-trifluorobutanoic acid

CAS 1263281-69-1Formula C6H10F3NO2MW 185.14PubChem 46864100

This compound is a trifluorinated butanoic acid derivative featuring a dimethylamino group. It is primarily used as a functionalized intermediate in organic synthesis, particularly in the development of novel fluorinated compounds for various research applications.

Loading RDKit molecule structure...
InChIKey: OCTMXNNJHXFGMG-UHFFFAOYSA-NC6H10F3NO2 | MW 185.14

Chemical Identity

Molecular Formula

C6H10F3NO2

Molecular Weight

185.14 g/mol

Exact Mass

185.066363

PubChem CID

46864100

SMILES String

CN(C)C(CC(=O)O)C(F)(F)F

Names & Synonyms

OCTMXNNJHXFGMG-UHFFFAOYSA-N3-(dimethylamino)-4,4,4-trifluorobutanoicacid
External Identifiers
AKOS012368087DB-356523EN300-714500

Catalog Overview

3-(Dimethylamino)-4,4,4-trifluorobutanoic acid (CAS 1263281-69-1) is an organic compound characterized by its trifluoromethyl group, a carboxylic acid functionality, and a tertiary dimethylamino group. With a molecular formula of C6H10F3NO2 and a molecular weight of 185. 14 g/mol, this molecule serves as a versatile building block in synthetic chemistry. Its trifluoromethyl group imparts unique physicochemical properties, such as increased lipophilicity and metabolic stability, which are often desirable in drug discovery and agrochemical research.

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Read more catalog context

3-(Dimethylamino)-4,4,4-trifluorobutanoic acid (CAS 1263281-69-1) is an organic compound characterized by its trifluoromethyl group, a carboxylic acid functionality, and a tertiary dimethylamino group. With a molecular formula of C6H10F3NO2 and a molecular weight of 185.14 g/mol, this molecule serves as a versatile building block in synthetic chemistry. Its trifluoromethyl group imparts unique physicochemical properties, such as increased lipophilicity and metabolic stability, which are often desirable in drug discovery and agrochemical research. The carboxylic acid and dimethylamino functionalities offer reactive sites for further derivatization, enabling its use in the synthesis of complex molecules. It is classified as a functionalized intermediate, making it valuable for researchers exploring new chemical entities.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White solid

Physical State

Solid

Melting Point

175.0 °C

Boiling Point

320.0 °C

Density

1.4 g/cm³

Water Solubility

Soluble

Flash Point

201.0 °C

Applications / Classifications

Research intermediateCustom synthesis building block

Biological Target Reference

No verified biological target assignment. This compound is listed primarily as a research or synthetic intermediate.

Preliminary Safety-Style Reference

Preliminary

Preliminary safety-style information for reference only. Not a supplier SDS.

Handling and Storage
  • Handle with appropriate personal protective equipment, including gloves, eye protection, and a lab coat. Use in a well-ventilated area or fume hood to avoid inhalation. Avoid contact with skin and eyes. In case of contact, rinse immediately with plenty of water. Store in a cool, dry place, away from incompatible materials. Consult the Safety Data Sheet (SDS) for detailed safety information before use. This product is for research use only and not for human or animal therapeutic or diagnostic use.

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