1,2,3-Trifluoro-5-[trans-4-[2-(trans-4-propylcyclohexyl)ethyl]cyclohexyl]benzene - ≥98% , CAS No.131819-24-4

CAS: 131819-24-4 Cat. No.: T405039 Peso molecular: 366.51 PubChem CID: 15176844

GRADE & PURITY ≥98%

Synonyms

FT-0688784 | T3466 | 1,2,3-trifluoro-5-{4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl}benzene | SB66970 | SCHEMBL8452536 | SCHEMBL7568221 | C72287 | DTXSID90569636 | DS-15503 | SCHEMBL7516369 | AKOS015918109 | 1-(trans-4-propylcyclohexyl)-2-[trans-4-(3,4,5-tr

Storage

Room temperature

Specifications

Sinónimos

FT-0688784 | T3466 | 1, 2, 3-trifluoro-5-{4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl}benzene | SB66970 | SCHEMBL8452536 | SCHEMBL7568221 | C72287 | DTXSID90569636 | DS-15503 | SCHEMBL7516369 | AKOS015918109 | 1-(trans-4-propylcyclohexyl)-2-[trans-4-(3, 4, 5-tr

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488198829
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488198829
• Sonrisas canónicas: CCCC1CCC(CC1)CCC2CCC(CC2)C3=CC(=C(C(=C3)F)F)F
• IUPAC Name: 1,2,3-trifluoro-5-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene
• InChIKey: PGBOJQDLNPQVCK-UHFFFAOYSA-N
• INCHI: 1S/C23H33F3/c1-2-3-16-4-6-17(7-5-16)8-9-18-10-12-19(13-11-18)20-14-21(24)23(26)22(25)15-20/h14-19H,2-13H2,1H3
• Isómeros SMILES: CCCC1CCC(CC1)CCC2CCC(CC2)C3=CC(=C(C(=C3)F)F)F
• PubChem CID: 15176844
• Peso molecular: 366.51
• Reaxy-Rn: 7219794

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorobenzenes
• Alternative Parents: Aryl fluorides Organofluorides Hydrofluorocarbons Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Fluorobenzene - Aryl halide - Aryl fluoride - Hydrofluorocarbon - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.
• 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

Propiedades químicas y físicas

• Solubilidad: Soluble in Toluene
• Peso molecular: 366.500 g/mol
• XLogP3: 9.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 366.253 Da
• Monoisotopic Mass: 366.253 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 384.000
• 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