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2,2,2-trifluoroethyl N-(1-tert-butyl-4-cyano-1H-pyrrol-2-yl)carbamate

CAS 1240528-52-2Formula C12H14F3N3O2MW 289.25PubChem 47002962

2,2,2-trifluoroethyl N-(1-tert-butyl-4-cyano-1H-pyrrol-2-yl)carbamate is a complex organic compound featuring a trifluoroethyl carbamate group and a tert-butyl cyanopyrrole moiety. With a molecular formula of C12H14F3N3O2 and a molecular weight of 289.25, it is categorized as a research-oriented/research-oriented molecule.

Loading RDKit molecule structure...
InChIKey: MTYWJIOBYGTZID-UHFFFAOYSA-NC12H14F3N3O2 | MW 289.25

Chemical Identity

Molecular Formula

C12H14F3N3O2

Molecular Weight

289.25 g/mol

Exact Mass

289.103811

PubChem CID

47002962

IUPAC Name

2,2,2-trifluoroethyl N-(1-tert-butyl-4-cyanopyrrol-2-yl)carbamate

SMILES String

CC(C)(C)n1cc(C#N)cc1NC(=O)OCC(F)(F)F

Names & Synonyms

G25097Z9795705242,2,2-trifluoroethylN-(1-tert-butyl-4-cyano-1H-pyrrol-2-yl)carbamate
External Identifiers
QZB52852AKOS033184927CS-0253039EN300-62343

Catalog Overview

This chemical, 2,2,2-trifluoroethyl N-(1-tert-butyl-4-cyano-1H-pyrrol-2-yl)carbamate, is an intricate organic molecule characterized by the presence of a 2,2,2-trifluoroethyl carbamate functional group attached to a 1-tert-butyl-4-cyano-1H-pyrrole core. Its structure suggests potential for diverse applications in synthetic organic chemistry and medicinal chemistry research, particularly in the exploration of novel compounds with specific biological activities. The trifluoroethyl group often enhances lipophilicity and metabolic stability, while the pyrrole and carbamate functionalities can participate in various chemical reactions...

Use Context

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

This chemical, 2,2,2-trifluoroethyl N-(1-tert-butyl-4-cyano-1H-pyrrol-2-yl)carbamate, is an intricate organic molecule characterized by the presence of a 2,2,2-trifluoroethyl carbamate functional group attached to a 1-tert-butyl-4-cyano-1H-pyrrole core. Its structure suggests potential for diverse applications in synthetic organic chemistry and medicinal chemistry research, particularly in the exploration of novel compounds with specific biological activities. The trifluoroethyl group often enhances lipophilicity and metabolic stability, while the pyrrole and carbamate functionalities can participate in various chemical reactions and interactions.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

white to off-white crystalline powder

Physical State

solid

Melting Point

105.0 °C

Boiling Point

300.0 °C

Density

1.3 g/cm³

Water Solubility

low

Flash Point

185.0 °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 (PPE) including gloves, eye protection, and a lab coat. Use in a well-ventilated area or fume hood. Avoid inhalation, ingestion, and skin contact. Refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures. Store in a cool, dry place away from incompatible materials.

Related Products / Graph Discovery

Related products, derivatives, keywords, and application cues for catalog discovery.

Similar products (text references)

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Recommended application cues

Research intermediateCustom synthesis building block

Catalog discovery cues, not supplier-verified claims.

Related HS Code / Compliance

HS Code: 29339980GHS Pictograms: GHS07Shipment review: Shipment details require review before fulfillment.

Compliance cues are non-linked reference tags and require shipment review.

Catalog navigation

Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.