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2,2,2-Trifluoroethyl 2-methyl-2,3-dihydro-1h-indole-1-carboxylate

CAS 1087798-15-9Formula C12H12F3NO2MW 259.22PubChem 43217740

2,2,2-Trifluoroethyl 2-methyl-2,3-dihydro-1h-indole-1-carboxylate is a trifluoroethyl ester of an indole-1-carboxylate derivative. This compound, with its 2-methyl-2,3-dihydro-1H-indole core and trifluoroethyl group, is a valuable chemical building block for research, particularly in medicinal chemistry due to its 'druglike_bioactive_like' characteristics. Intended for Research Use Only.

Loading RDKit molecule structure...
InChIKey: CDXGUKRZWRWUDQ-UHFFFAOYSA-NC12H12F3NO2 | MW 259.22

Chemical Identity

Molecular Formula

C12H12F3NO2

Molecular Weight

259.22 g/mol

Exact Mass

259.082013

PubChem CID

43217740

IUPAC Name

2,2,2-trifluoroethyl 2-methyl-2,3-dihydroindole-1-carboxylate

SMILES String

CC1Cc2ccccc2N1C(=O)OCC(F)(F)F

Names & Synonyms

2,2,2-trifluoroethyl2-methyl-2,3-dihydro-1h-indole-1-carboxylate
External Identifiers
AKOS009101938EN300-88303

Catalog Overview

2,2,2-Trifluoroethyl 2-methyl-2,3-dihydro-1h-indole-1-carboxylate, identified by CAS 1087798-15-9, is an organic compound with the molecular formula C12H12F3NO2 and a molecular weight of 259. 22 g/mol. This compound features a 2-methyl-2,3-dihydro-1H-indole core, which is a reduced indole ring system, esterified with a 2,2,2-trifluoroethanol moiety. The trifluoroethyl group is known to impart specific physicochemical properties, such as increased lipophilicity and potential for metabolic stability, making it a valuable structural motif in drug discovery and synthetic chemistry.

Use Context

  • Research chemical sourcing
  • Custom synthesis and catalog availability review
  • COA, SDS, pricing, and fulfillment workflow
Read more catalog context

2,2,2-Trifluoroethyl 2-methyl-2,3-dihydro-1h-indole-1-carboxylate, identified by CAS 1087798-15-9, is an organic compound with the molecular formula C12H12F3NO2 and a molecular weight of 259.22 g/mol. This compound features a 2-methyl-2,3-dihydro-1H-indole core, which is a reduced indole ring system, esterified with a 2,2,2-trifluoroethanol moiety. The trifluoroethyl group is known to impart specific physicochemical properties, such as increased lipophilicity and potential for metabolic stability, making it a valuable structural motif in drug discovery and synthetic chemistry. As a "druglike_bioactive_like" compound, it may serve as a building block or lead compound in the synthesis of novel chemical entities for various research applications. This product is intended for Research Use Only (RUO).

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

Colorless liquid

Physical State

Liquid

Melting Point

15.0 °C

Boiling Point

280.0 °C

Density

1.2 g/cm³

Water Solubility

Slightly soluble

Flash Point

135.0 °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. Refer to the Safety Data Sheet (SDS) for comprehensive safety information and emergency procedures. Store in a cool, dry place, away from incompatible materials.

Related Products / Graph Discovery

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