Compound Identification
SMILES
C[C@@]1(N=C(N)OC[C@@H]1F)C1=CCCC=C1F
InChIKey
InChIKey=LBSLERGGXDRGNS-GXSJLCMTSA-N
Formula
C11H14F2N2O
Mass
228.243
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboximidic acids and derivatives
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Subclass
Carboximidic acids
- Level 5 Isoureas
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Subclass
Carboximidic acids
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Class
Carboximidic acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboximidic acids and derivatives
Subclass
Carboximidic acids
Intermediate Tree Nodes
Not available
Direct Parent
Isoureas
Alternative Parents
Vinyl fluorides Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Fluoroalkenes Carboximidamides Azacyclic compounds Organooxygen compounds Organofluorides Hydrocarbon derivatives Amines Alkyl fluorides
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Isourea - Vinyl fluoride - Vinyl halide - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Haloalkene - Fluoroalkene - Azacycle - Oxacycle - Alkyl fluoride - Alkyl halide - Amine - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as isoureas. These are organic compounds containing the isourea group, with the general structure R1N(R2)C(=NR3)OR4, or its hydrocarbyl derivatives (R1,R2,R3,R4=H, alkyl, aryl).
External Descriptors
Not available