Compound Identification
SMILES
O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)OCCCC1=CC(=CC=C1)C(F)(F)F
InChIKey
InChIKey=JTARBFWWBQGOLM-LXTVHRRPSA-N
Formula
C16H19F3O4
Mass
332.319
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Furofurans
- Subclass Isosorbides
-
Class
Furofurans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Furofurans
Subclass
Isosorbides
Intermediate Tree Nodes
Not available
Direct Parent
Isosorbides
Alternative Parents
Trifluoromethylbenzenes Oxolanes Secondary alcohols Oxacyclic compounds Dialkyl ethers Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isosorbide - Trifluoromethylbenzene - Monocyclic benzene moiety - Benzenoid - Oxolane - Secondary alcohol - Ether - Dialkyl ether - Oxacycle - Alkyl fluoride - Organooxygen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Alcohol - Alkyl halide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isosorbides. These are organic polycyclic compounds containing an isosorbide(1,4-Dianhydrosorbitol) moiety, which consists of two -oxolan-3-ol rings.
External Descriptors
Not available