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2,2,2-trifluoroethyl N-[3-(propan-2-yl)phenyl]carbamate

CAS 1087788-76-8Formula C12H14F3NO2MW 261.24PubChem 39871481

2,2,2-trifluoroethyl N-[3-(propan-2-yl)phenyl]carbamate is a trifluoroethyl carbamate derivative with a 3-isopropylphenyl moiety. This compound, with molecular formula C12H14F3NO2, is classified as a research-oriented/research-oriented molecule, making it of interest for various research applications in medicinal chemistry and drug discovery.

Loading RDKit molecule structure...
InChIKey: WBOULLDTXBVJEJ-UHFFFAOYSA-NC12H14F3NO2 | MW 261.24

Chemical Identity

Molecular Formula

C12H14F3NO2

Molecular Weight

261.24 g/mol

Exact Mass

261.097663

PubChem CID

39871481

IUPAC Name

2,2,2-trifluoroethyl N-(3-propan-2-ylphenyl)carbamate

SMILES String

CC(C)c1cccc(NC(=O)OCC(F)(F)F)c1

Names & Synonyms

2,2,2-trifluoroethyl 3-isopropylphenylcarbamateG392562,2,2-Trifluoroethyl [3-(propan-2-yl)phenyl]carbamate2,2,2-trifluoroethylN-[3-(propan-2-yl)phenyl]carbamate2,2,2-Trifluoroethyl N-[3-(1-methylethyl)phenyl]carbamate
External Identifiers
DTXSID901197803MTB78876AKOS005874965EN300-88300

Catalog Overview

2,2,2-trifluoroethyl N-[3-(propan-2-yl)phenyl]carbamate is an organic chemical compound characterized by a carbamate functional group, where the nitrogen is substituted with a 3-isopropylphenyl group and the oxygen is linked to a 2,2,2-trifluoroethyl moiety. Its molecular structure, C12H14F3NO2, combines a fluorinated alkyl chain with an aromatic ring and an isopropyl substituent, contributing to its potential for diverse chemical interactions. As a research-oriented/research-oriented compound, it serves as a valuable building block or lead compound in synthetic organic chemistry, particularly in the exploration of novel...

Use Context

  • Research chemical sourcing
  • Custom synthesis and catalog availability review
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Read more catalog context

2,2,2-trifluoroethyl N-[3-(propan-2-yl)phenyl]carbamate is an organic chemical compound characterized by a carbamate functional group, where the nitrogen is substituted with a 3-isopropylphenyl group and the oxygen is linked to a 2,2,2-trifluoroethyl moiety. Its molecular structure, C12H14F3NO2, combines a fluorinated alkyl chain with an aromatic ring and an isopropyl substituent, contributing to its potential for diverse chemical interactions. As a research-oriented/research-oriented compound, it serves as a valuable building block or lead compound in synthetic organic chemistry, particularly in the exploration of novel pharmaceutical agents or agrochemicals. Researchers may utilize this compound for structure-activity relationship studies, as a synthetic intermediate, or in the development of new chemical entities.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

colorless liquid

Physical State

liquid

Melting Point

-5.0 °C

Boiling Point

282.0 °C

Density

1.16 g/cm³

Water Solubility

sparingly soluble

Flash Point

147.9 °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-(propan-2-yl)phenyl]carbamate 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 thoroughly with water. Store in a cool, dry place, away from incompatible materials. Consult the Safety Data Sheet (SDS) for comprehensive safety information before handling.

Related Products / Graph Discovery

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