Perfluorohex-1-ene , CAS No.755-25-9

CAS: 755-25-9 Cat. No.: P1065951 분자식: C₆F₁₂ 분자량: 300.05 EC 번호: 212-047-6 PubChem CID: 69786

Storage

Room temperature

사양

보관 조건

Room temperature

이름과 식별자

정식 스마일

C(=C(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)F

IUPAC Name

1,1,2,3,3,4,4,5,5,6,6,6-dodecafluorohex-1-ene

InChIKey

RMHCWMIZBMGHKV-UHFFFAOYSA-N

INCHI

1S/C6F12/c7-1(2(8)9)3(10,11)4(12,13)5(14,15)6(16,17)18

이성체 SMILES

C(=C(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)F

PubChem CID

69786

분자량

300.05

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • 분류 Vinyl halides
      • Subclass Vinyl fluorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• 분류: Vinyl halides
• Subclass: Vinyl fluorides
• Intermediate Tree Nodes: Not available
• Direct Parent: Vinyl fluorides
• Alternative Parents: Fluoroalkenes Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fluoroalkene - Haloalkene - Vinyl fluoride - Hydrocarbon derivative - Organofluoride - Alkyl halide - Alkyl fluoride - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as vinyl fluorides. These are vinyl halides in which a fluorine atom is bonded to an sp2-hybridised carbon atom.
• 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

화학 및 물리적 특성

• 끓는점(°C): 57°
• 분자량: 300.040 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 3
• Exact Mass: 299.981 Da
• Monoisotopic Mass: 299.981 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 342.000
• 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