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2,2,2-trifluoroethyl N-(4-fluoro-2-methylphenyl)carbamate

CAS 1087788-98-4Formula C10H9F4NO2MW 251.18PubChem 39871565

This compound is a fluorinated carbamate derivative, specifically 2,2,2-trifluoroethyl N-(4-fluoro-2-methylphenyl)carbamate. It is classified within the research-oriented chemical scaffold, suggesting its potential utility in medicinal chemistry and drug discovery research as a building block or a lead compound for further investigation.

Loading RDKit molecule structure...
InChIKey: YFZVDAWTFFZTFN-UHFFFAOYSA-NC10H9F4NO2 | MW 251.18

Chemical Identity

Molecular Formula

C10H9F4NO2

Molecular Weight

251.18 g/mol

Exact Mass

251.056941

PubChem CID

39871565

SMILES String

Cc1cc(F)ccc1NC(=O)OCC(F)(F)F

Names & Synonyms

2,2,2-trifluoroethyl 4-fluoro-2-methylphenylcarbamateG392682,2,2-Trifluoroethyl (4-fluoro-2-methylphenyl)carbamate2,2,2-trifluoroethylN-(4-fluoro-2-methylphenyl)carbamate
External Identifiers
DTXSID801198115MTB78898AKOS005874827EN300-88442

Catalog Overview

2,2,2-trifluoroethyl N-(4-fluoro-2-methylphenyl)carbamate is an organic chemical compound with the molecular formula C10H9F4NO2 and a molecular weight of 251. 18 g/mol. It features a carbamate functional group, an aromatic phenyl ring substituted with a fluorine atom and a methyl group, and a trifluoroethyl ester moiety. The presence of multiple fluorine atoms contributes to its unique electronic and steric properties, which can be advantageous in pharmaceutical and agrochemical research for modifying bioavailability, metabolic stability, and receptor binding affinity.

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 N-(4-fluoro-2-methylphenyl)carbamate is an organic chemical compound with the molecular formula C10H9F4NO2 and a molecular weight of 251.18 g/mol. It features a carbamate functional group, an aromatic phenyl ring substituted with a fluorine atom and a methyl group, and a trifluoroethyl ester moiety. The presence of multiple fluorine atoms contributes to its unique electronic and steric properties, which can be advantageous in pharmaceutical and agrochemical research for modifying bioavailability, metabolic stability, and receptor binding affinity. This compound is of interest to researchers in synthetic organic chemistry, medicinal chemistry, and materials science for its potential as an intermediate or a scaffold in the synthesis of novel compounds.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

white solid

Physical State

solid

Melting Point

75.0 °C

Boiling Point

290.0 °C

Density

1.31 g/cm³

Water Solubility

slightly soluble

Flash Point

158.2 °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 under a 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 comprehensive safety information before use.

Related Products / Graph Discovery

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