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
External Identifiers
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
EstimatedEstimated / 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
Biological Target Reference
No verified biological target assignment. This compound is listed primarily as a research or synthetic intermediate.
Preliminary Safety-Style Reference
PreliminaryPreliminary 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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Related CAS / Similar Products
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Recommended application cues
Catalog discovery cues, not supplier-verified claims.
Related HS Code / Compliance
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