N,N-Diallyl-2,2,2-trifluoroacetamide - ≥98% , CAS No.14618-49-6

CAS: 14618-49-6 Cat. No.: N341732 Molecular Weight: 193.17 EC Number: 625-441-1

GRADE & PURITY ≥98%

Synonyms

DTXSID40289115 | SCHEMBL1231260 | 2,2,2-trifluoro-N,N-bis(prop-2-enyl)acetamide | NSC 59282 | N,N-Diallyl-2,2,2-trifluoroacetamide | N,N-Diallyl-2,2,2-trifluoro-acetamide | NSC59282 | NSC-59282 | Acetamide, 2,2,2-trifluoro-N,N-di-2-propen-1-yl- | AKOS0038

Storage

Room temperature

Shipped In

Normal

Overview

Product Description
N,N-Diallyl-2,2,2-trifluoroacetamide (DAF) is an organic building block used in chemical synthesis. The capability of silica immobilized Hoveyda-Grubbs type catalysts to facilitate the ring-closing metathesis of (-)-β-citronellene and DAF has been investigated. Its density and refractive index at 25°C is 1.1300g/cm3 and 1.4130 respectively.
Product Application
N,N-Diallyl-2,2,2-trifluoroacetamide may be used as a substrate for ring-closing metathesis (RCM) reaction.

Specifications

Synonyms

DTXSID40289115 | SCHEMBL1231260 | 2, 2, 2-trifluoro-N, N-bis(prop-2-enyl)acetamide | NSC 59282 | N, N-Diallyl-2, 2, 2-trifluoroacetamide | N, N-Diallyl-2, 2, 2-trifluoro-acetamide | NSC59282 | NSC-59282 | Acetamide, 2, 2, 2-trifluoro-N, N-di-2-propen-1-yl- | AKOS0038

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488188978
• Canonical Smiles: C=CCN(CC=C)C(=O)C(F)(F)F
• IUPAC Name: 2,2,2-trifluoro-N,N-bis(prop-2-enyl)acetamide
• InChIKey: YLFAOCVUPKJNHP-UHFFFAOYSA-N
• INCHI: 1S/C8H10F3NO/c1-3-5-12(6-4-2)7(13)8(9,10)11/h3-4H,1-2,5-6H2
• Isomeric SMILES: C=CCN(CC=C)C(=O)C(F)(F)F
• WGK Germany: 3
• Molecular Weight: 193.17
• Reaxy-Rn: 2045911
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2045911&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid amides
          • Level6 Tertiary carboxylic acid amides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid amides
• Direct Parent: Tertiary carboxylic acid amides
• Alternative Parents: Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tertiary carboxylic acid amide - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as tertiary carboxylic acid amides. These are compounds containing an amide derivative of carboxylic acid, with the general structure RN(R1)C(R2)=O (R1-R2 any atom but H).
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Heat sensitive
• Flash Point(°F): 147.2 °F
• Flash Point(°C): 64 °C
• Boil Point(°C): 67-68.5° C (lit.) at 13 mmHg
• Melt Point(°C): 13.82° C (Predicted)
• Molecular Weight: 193.170 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 193.071 Da
• Monoisotopic Mass: 193.071 Da
• Topological Polar Surface Area: 20.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 200.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1