Compound Identification
SMILES
COC(OC)[C@]1(C)OC2=C(C=C(N)C=C2)[C@H]([C@@H]1O)N(CC1=NC=CN1)C1=CC=C(C=C1)C(F)(F)F
InChIKey
InChIKey=VJYLHVYFQVOBLB-FUPPJEDESA-N
Formula
C24H27F3N4O4
Mass
492.499
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Trifluoromethylbenzenes
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Trifluoromethylbenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Trifluoromethylbenzenes
Alternative Parents
1-benzopyrans Dialkylarylamines Aniline and substituted anilines Aralkylamines Alkyl aryl ethers Primary aromatic amines Imidazoles Heteroaromatic compounds Secondary alcohols 1,2-aminoalcohols Oxacyclic compounds Acetals Azacyclic compounds Alkyl fluorides Hydrocarbon derivatives Organofluorides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Chromane - Benzopyran - Trifluoromethylbenzene - 1-benzopyran - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Alkyl aryl ether - Aralkylamine - Primary aromatic amine - Azole - Imidazole - Heteroaromatic compound - Tertiary amine - Secondary alcohol - 1,2-aminoalcohol - Azacycle - Organoheterocyclic compound - Oxacycle - Ether - Acetal - Alcohol - Organohalogen compound - Organofluoride - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Amine - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Primary amine - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
External Descriptors
Not available