Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(Oc2ccc(C(F)(F)F)cc2C=O)CC1- InChIKey
BQKZDQPNIUQPIP-UHFFFAOYSA-N- Molecular formula
- C18H22F3NO4
- Average molar mass
- 373.4 g/mol
Names & identifiers
- Preferred name
- 4-(2-Formyl-4-trifluoromethyl-phenoxy)-piperidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 4-[2-formyl-4-(trifluoromethyl)phenoxy]piperidine-1-carboxylate
Names & synonyms
4-(2-formyl-4-trifluoromethyl-phenoxy)-piperidine-1-carboxylic acid tert-butyl esterSCHEMBL275404
Database identifiers
- PubChem CID
- 57743281
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 496
Related reactions
2 records
Compound notes
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