Ethyl 3,3,3-trifluoropropanoate - ≥98% , CAS No.352-23-8

CAS: 352-23-8 Cat. No.: E588837 Molecular Weight: 156.1 EC Number: 674-882-6

GRADE & PURITY ≥98%

Synonyms

ethyl 3,3,3-trifluoropropanoate | ethyl-3,3,3-trifluoropropionate | ethyl3,3,3-trifluoropropionate | MFCD01348113 | AMY3054 | DS-5015 | Ethyl-3,3,3-trifluoropropanoate | ethyl3,3,3-trifluoropropanoate | FT-0676817 | J-521313 | Ethyl 3,3,3-Trifluoropropion

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Synonyms

ethyl 3, 3, 3-trifluoropropanoate | ethyl-3, 3, 3-trifluoropropionate | ethyl3, 3, 3-trifluoropropionate | MFCD01348113 | AMY3054 | DS-5015 | Ethyl-3, 3, 3-trifluoropropanoate | ethyl3, 3, 3-trifluoropropanoate | FT-0676817 | J-521313 | Ethyl 3, 3, 3-Trifluoropropion

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CCOC(=O)CC(F)(F)F
• IUPAC Name: ethyl 3,3,3-trifluoropropanoate
• InChIKey: FMDMKDPUFQNVSH-UHFFFAOYSA-N
• INCHI: 1S/C5H7F3O2/c1-2-10-4(9)3-5(6,7)8/h2-3H2,1H3
• Isomeric SMILES: CCOC(=O)CC(F)(F)F
• Alternate CAS: 352-23-8
• MeSH Entry Terms: AC 2307;AC-2307;AC2307;davalintide
• Molecular Weight: 156.1
• Reaxy-Rn: 1764827
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1764827&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acid esters
• Alternative Parents: Monocarboxylic acids and derivatives Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen 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 carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group).
• 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

• Molecular Weight: 156.100 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 156.04 Da
• Monoisotopic Mass: 156.04 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 119.000
• 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

References

1. Liu Shuohan, Tian Wensheng, Shen Jieqing, Wang Zhikai, Pan Hui, Kuang Xuchen, Yang Cheng, Chen Shunwei, Han Xiujun, Quan Hengdao, Zhu Shenmin.  (2025)  Bioinspired gel polymer electrolyte for wide temperature lithium metal battery.  Nature Communications,  16  (1): (1-11).  [PMID:40075058] [10.1038/s41467-025-57856-w]