Basic information
- CAS
668462-41-7- Standard SMILES
NC(=O)C1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1- InChIKey
BMTHFNSSRWVDKW-UHFFFAOYSA-N- Molecular formula
- C13H13F3N4O5
- Average molar mass
- 362.26 g/mol
- Monoisotopic mass
- 362.08380401
Names & identifiers
- Preferred name
- 1-(2,6-Dinitro-4-(trifluoromethyl)phenyl)-4-piperidinecarboxamide
- IUPAC
- 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
Names & synonyms
668462-41-71-[2,6-Dinitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxamide1-(2,6-Dinitro-4-(trifluoromethyl)phenyl)-4-piperidinecarboxamideRefChem:2230031-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamideMLS000830736CHEMBL1313629DTXSID301169046HMS2792H04SMR000457757
Database identifiers
- CAS
668462-41-7- PubChem CID
- 2805613
- DTXSID
DTXSID301169046- ChEMBL
CHEMBL1313629
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 515
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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