[2,3,3,3-Tetrafluoro-2-(trifluoromethoxy)propyl]oxirane - ≥95% , CAS No.243139-60-8

CAS: 243139-60-8 Cat. No.: T1048237 Molecular Weight: 242.09 EC Number: 631-053-3 PubChem CID: 2776791

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1C(O1)CC(C(F)(F)F)(OC(F)(F)F)F
• IUPAC Name: 2-[2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propyl]oxirane
• InChIKey: YLTWQTPPDBTMJI-UHFFFAOYSA-N
• INCHI: 1S/C6H5F7O2/c7-4(5(8,9)10,1-3-2-14-3)15-6(11,12)13/h3H,1-2H2
• Isomeric SMILES: C1C(O1)CC(C(F)(F)F)(OC(F)(F)F)F
• PubChem CID: 2776791
• Molecular Weight: 242.09

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Class Alkyl halides
      • Subclass Halomethanes

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: Alkyl halides
• Subclass: Halomethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Trihalomethanes
• Alternative Parents: Oxacyclic compounds Epoxides Dialkyl ethers Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Trihalomethane - Oxacycle - Organoheterocyclic compound - Ether - Oxirane - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Alkyl fluoride - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as trihalomethanes. These are organic compounds in which exactly three of the four hydrogen atoms of methane (CH4) are replaced by halogen atoms.
• 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: 242.090 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 242.018 Da
• Monoisotopic Mass: 242.018 Da
• Topological Polar Surface Area: 21.800 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 235.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1