Compound Identification
SMILES
OC(CN1C=NC=N1)(C1=CC=C(C=C1)C(F)(F)F)C1=CC=C(C=C1)C(F)(F)F
InChIKey
InChIKey=BHKONILQQLFTIH-UHFFFAOYSA-N
Formula
C18H13F6N3O
Mass
401.312
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
- Subclass Sesquiterpenoids
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Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Sesquiterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Sesquiterpenoids
Alternative Parents
Diphenylmethanes Trifluoromethylbenzenes Triazoles Tertiary alcohols Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives Aromatic alcohols Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Sesquiterpenoid - Bisabolane sesquiterpenoid - Diphenylmethane - Trifluoromethylbenzene - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azole - Tertiary alcohol - 1,2,4-triazole - Organoheterocyclic compound - Azacycle - Alkyl halide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alcohol - Organopnictogen compound - Hydrocarbon derivative - Aromatic alcohol - Alkyl fluoride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.
External Descriptors
Not available