(R)-1,1,1-Trifluoro-3-[(4-methoxybenzyl)oxy]-2-propanol - ≥98% , CAS No.1204344-00-2

CAS: 1204344-00-2 Cat. No.: R1227817 Peso molecular: 250.21

GRADE & PURITY ≥98%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: COC1=CC=C(C=C1)COC[C@H](C(F)(F)F)O
• IUPAC Name: (2R)-1,1,1-trifluoro-3-[(4-methoxyphenyl)methoxy]propan-2-ol
• InChIKey: YDZVCRBHIKWKAU-SNVBAGLBSA-N
• INCHI: 1S/C11H13F3O3/c1-16-9-4-2-8(3-5-9)6-17-7-10(15)11(12,13)14/h2-5,10,15H,6-7H2,1H3/t10-/m1/s1
• Peso molecular: 250.21

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzylethers
• Alternative Parents: Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Secondary alcohols Fluorohydrins Dialkyl ethers Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzylether - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Secondary alcohol - Fluorohydrin - Halohydrin - Ether - Dialkyl ether - Alkyl fluoride - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Alkyl halide - Organohalogen compound - Organofluoride - Organooxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene).
• 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

• Peso molecular: 250.210 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 250.082 Da
• Monoisotopic Mass: 250.082 Da
• Topological Polar Surface Area: 38.700 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 212.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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