Ethyl 3-nitro-2-piperid-1-yl-5-trifluoromethylbenzoate
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Basic information
- Standard SMILES
CCOC(=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCCCC1- InChIKey
HCMBBMWOPDCHNC-UHFFFAOYSA-N- Molecular formula
- C15H17F3N2O4
- Average molar mass
- 346.3 g/mol
Names & identifiers
- Preferred name
- Ethyl 3-nitro-2-piperid-1-yl-5-trifluoromethylbenzoate
- IUPAC
- ethyl 3-nitro-2-piperidin-1-yl-5-(trifluoromethyl)benzoate
Names & synonyms
ethyl 3-nitro-2-piperid-1-yl-5-trifluoromethylbenzoateSCHEMBL1888609
Database identifiers
- PubChem CID
- 67201256
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 461
Related reactions
4 records
Compound notes
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