| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:49:15 UTC |
|---|
| Update Date | 2025-03-21 18:02:10 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00036777 |
|---|
| Frequency | 96.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C17H12F4N2 |
|---|
| Molecular Mass | 320.0937 |
|---|
| SMILES | Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(F)cc2)cc1 |
|---|
| InChI Key | KMUVLSGRBBLSEU-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | azoles |
|---|
| Subclass | pyrazoles |
|---|
| Direct Parent | phenylpyrazoles |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | alkyl fluoridesaryl fluoridesazacyclic compoundsfluorobenzenesheteroaromatic compoundshydrocarbon derivativesorganofluoridesorganonitrogen compoundsorganopnictogen compoundstoluenes |
|---|
| Substituents | aryl fluoridemonocyclic benzene moietyaromatic heteromonocyclic compoundazacyclealkyl fluorideorganofluorideheteroaromatic compoundorganohalogen compoundaryl halidephenylpyrazolefluorobenzeneorganonitrogen compoundorganopnictogen compoundalkyl halidehydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenetoluene |
|---|
