Basic information
- CAS
62564-40-3- Standard SMILES
CCC1CCCCN1Nc1cc([N+](=O)[O-])c(C(F)(F)F)c([N+](=O)[O-])c1- InChIKey
XDQOXAIXIDBCAH-UHFFFAOYSA-N- Molecular formula
- C14H17F3N4O4
- Average molar mass
- 362.3 g/mol
- Monoisotopic mass
- 362.12018952
Names & identifiers
- Preferred name
- N-[3,5-Dinitro-4-(trifluoromethyl)phenyl]-2-ethylpiperidin-1-amine
- IUPAC
- N-[3,5-dinitro-4-(trifluoromethyl)phenyl]-2-ethylpiperidin-1-amine
Names & synonyms
62564-40-3N-[3,5-Dinitro-4-(trifluoromethyl)phenyl]-2-ethylpiperidin-1-amineDTXSID00807435
Database identifiers
- CAS
62564-40-3- PubChem CID
- 71385196
- DTXSID
DTXSID00807435
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 470
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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