2,2-difluorocyclopentanol - ≥97% , CAS No.1545583-60-5

CAS: 1545583-60-5 Cat. No.: D629648 Summenformel: C₅H₈OF₂ Molekulargewicht: 122.11 EG-Nummer: 964-173-2 PubChem CID: 69557889

GRADE & PURITY ≥97%

Synonyms

2,2-Difluorocyclopentanol | 1545583-60-5 | 2,2-difluorocyclopentan-1-ol | SCHEMBL5763715 | MFCD28635477 | SB75152 | D97023 | EN300-6250973

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

2,2-Difluorocyclopentanol | 1545583-60-5 | 2,2-difluorocyclopentan-1-ol | SCHEMBL5763715 | MFCD28635477 | SB75152 | D97023 | EN300-6250973

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Kanonisches Lächeln

C1CC(C(C1)(F)F)O

IUPAC Name

2,2-difluorocyclopentan-1-ol

InChIKey

VJHWPQWKOYXRNW-UHFFFAOYSA-N

INCHI

1S/C5H8F2O/c6-5(7)3-1-2-4(5)8/h4,8H,1-3H2

Isomere SMILES

C1CC(C(C1)(F)F)O

PubChem CID

69557889

Molekulargewicht

122.11

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Alcohols and polyols
        • Ebene5 Secondary alcohols
          • Ebene6 Cyclopentanols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Secondary alcohols
• Direct Parent: Cyclopentanols
• Alternative Parents: Fluorohydrins Cyclic alcohols and derivatives Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclopentanol - Cyclic alcohol - Halohydrin - Fluorohydrin - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aliphatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as cyclopentanols. These are compounds containing a cyclopentane ring that carries an alcohol 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 122.110 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 122.054 Da
• Monoisotopic Mass: 122.054 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 92.400
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1