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Basic information
- Standard SMILES
COC(=O)C1CCN(C(=O)OC)C(c2cc(F)c(F)cc2F)C1- InChIKey
HDLHISNIFADZPT-UHFFFAOYSA-N- Molecular formula
- C15H16F3NO4
- Average molar mass
- 331.29 g/mol
Names & identifiers
- Preferred name
- Dimethyl 2-(2,4,5-trifluorophenyl)piperidine-1,4-dicarboxylate
- IUPAC
- dimethyl 2-(2,4,5-trifluorophenyl)piperidine-1,4-dicarboxylate
Names & synonyms
SCHEMBL3074022HDLHISNIFADZPT-UHFFFAOYSA-Ndimethyl 2-(2,4,5-trifluorophenyl)piperidine-1,4-dicarboxylate
Database identifiers
- PubChem CID
- 68502002
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 450
Related reactions
4 records
Compound notes
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