| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:38:14 UTC |
|---|
| Update Date | 2025-03-25 00:45:51 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02151669 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H8F3N |
|---|
| Molecular Mass | 223.0609 |
|---|
| SMILES | FC(F)(F)c1ccc(-c2ccncc2)cc1 |
|---|
| InChI Key | XKLRYMRLOBCRPN-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | trifluoromethylbenzenes |
|---|
| Direct Parent | trifluoromethylbenzenes |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | alkyl fluoridesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganofluoridesorganonitrogen compoundsorganopnictogen compoundspyridines and derivatives |
|---|
| Substituents | aromatic heteromonocyclic compoundazacyclealkyl fluorideorganofluorideheteroaromatic compoundorganohalogen compoundpyridineorganonitrogen compoundorganopnictogen compoundalkyl halidehydrocarbon derivativeorganic nitrogen compoundtrifluoromethylbenzeneorganoheterocyclic compound |
|---|
