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
External Identifiers
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...
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- 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
EstimatedEstimated / 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
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 (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.
Related products and analog discovery will be available as catalog graph data is expanded.