ClassyFire

Compound Identification

SMILES

O[C@]1(CC[C@@]2(C(=O)CCCC2=C1)C(F)(F)F)C#C

InChIKey

InChIKey=UYKAFSQZYZVRCY-NWDGAFQWSA-N

Formula

C13H13F3O2

Mass

258.24

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level 5 Alpha,beta-unsaturated carbonyl compounds
        
        Level 6 Alpha,beta-unsaturated ketones
        
        Level 7 Ynones

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organooxygen compounds

Subclass

Carbonyl compounds

Intermediate Tree Nodes

Alpha,beta-unsaturated carbonyl compounds - Alpha,beta-unsaturated ketones

Direct Parent

Ynones

Alternative Parents

Tertiary alcohols Ketones Acetylides Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides

Molecular Framework

Aliphatic homopolycyclic compounds

Substituents

Ynone - Tertiary alcohol - Ketone - Acetylide - Organic oxide - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Alcohol - Aliphatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as ynones. These are organic compounds containing the ynone functional group, an alpha,beta unsaturated ketone group with the general structure RC#C-C(=O)R' (R' not H).

External Descriptors

Not available

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