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2,2,2-trifluoroethyl N-(3-fluoro-4-methylphenyl)carbamate

CAS 1087798-07-9Formula C10H9F4NO2MW 251.18PubChem 39871457

A fluorinated carbamate derivative, 2,2,2-trifluoroethyl N-(3-fluoro-4-methylphenyl)carbamate is a research chemical with a molecular formula of C10H9F4NO2 and a molecular weight of 251.18. It is classified within the research-oriented chemical scaffold, suggesting its potential utility in medicinal chemistry and drug discovery research.

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

Chemical Identity

Molecular Formula

C10H9F4NO2

Molecular Weight

251.18 g/mol

Exact Mass

251.056941

PubChem CID

39871457

SMILES String

Cc1ccc(NC(=O)OCC(F)(F)F)cc1F

Names & Synonyms

2,2,2-trifluoroethyl 3-fluoro-4-methylphenylcarbamate2,2,2-Trifluoroethyl (3-fluoro-4-methylphenyl)carbamateZ3815423542,2,2-trifluoroethylN-(3-fluoro-4-methylphenyl)carbamate
External Identifiers
DTXSID701198500MTB79807AKOS005875245CS-0263585EN300-88291

Catalog Overview

2,2,2-trifluoroethyl N-(3-fluoro-4-methylphenyl)carbamate, identified by CAS 1087798-07-9, is an organic compound featuring a trifluoroethyl carbamate moiety attached to a fluorinated and methylated phenyl ring. Its chemical structure, C10H9F4NO2, includes four fluorine atoms, which can impart unique physicochemical properties such as increased lipophilicity and metabolic stability, often desirable in pharmaceutical research. With a molecular weight of 251. 18, this compound falls into the "research-oriented" category, indicating its potential as a building block or lead compound in the synthesis of novel bioactive molecules.

Use Context

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Read more catalog context

2,2,2-trifluoroethyl N-(3-fluoro-4-methylphenyl)carbamate, identified by CAS 1087798-07-9, is an organic compound featuring a trifluoroethyl carbamate moiety attached to a fluorinated and methylated phenyl ring. Its chemical structure, C10H9F4NO2, includes four fluorine atoms, which can impart unique physicochemical properties such as increased lipophilicity and metabolic stability, often desirable in pharmaceutical research. With a molecular weight of 251.18, this compound falls into the "research-oriented" category, indicating its potential as a building block or lead compound in the synthesis of novel bioactive molecules. Researchers may explore its use in various synthetic pathways or as a probe in biochemical studies.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White solid

Physical State

Solid

Melting Point

85.0 °C

Boiling Point

280.0 °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 2,2,2-trifluoroethyl N-(3-fluoro-4-methylphenyl)carbamate in a well-ventilated area or fume hood. Wear appropriate personal protective equipment, including safety goggles, gloves, and a lab coat, to prevent skin and eye contact. Avoid inhalation of dust or vapors. In case of contact, rinse immediately with plenty of water. Store in a cool, dry place, away from incompatible materials. Always consult the Safety Data Sheet (SDS) for comprehensive safety information before handling.

Related Products / Graph Discovery

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