Tfmb-(R)-2-HG - ≥99% , CAS No.1445700-01-5

CAS: 1445700-01-5 Cat. No.: T1291234 Molecular Weight: 288.22 PubChem CID: 91885414

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Specifications & Purity

≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥99%

Names and Identifiers

• Canonical Smiles: C1CC(=O)OC1C(=O)OCC2=CC(=CC=C2)C(F)(F)F
• IUPAC Name: [3-(trifluoromethyl)phenyl]methyl (2R)-5-oxooxolane-2-carboxylate
• InChIKey: UXTLNUGKDZMPTC-SNVBAGLBSA-N
• INCHI: 1S/C13H11F3O4/c14-13(15,16)9-3-1-2-8(6-9)7-19-12(18)10-4-5-11(17)20-10/h1-3,6,10H,4-5,7H2/t10-/m1/s1
• Isomeric SMILES: C1CC(=O)O[C@H]1C(=O)OCC2=CC(=CC=C2)C(F)(F)F
• PubChem CID: 91885414
• Molecular Weight: 288.22

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzyloxycarbonyls

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzyloxycarbonyls
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyloxycarbonyls
• Alternative Parents: Trifluoromethylbenzenes Gamma butyrolactones Dicarboxylic acids and derivatives Oxolanes Carboxylic acid esters Oxacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzyloxycarbonyl - Trifluoromethylbenzene - Dicarboxylic acid or derivatives - Gamma butyrolactone - Oxolane - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Alkyl halide - Hydrocarbon derivative - Organic oxide - Alkyl fluoride - Carbonyl group - Organic oxygen compound - Organohalogen compound - Organofluoride - Organooxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl 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: 288.220 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 288.061 Da
• Monoisotopic Mass: 288.061 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 380.000
• 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