Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(C(=O)c2cc(C(F)(F)F)ccc2F)CC1- InChIKey
FJXYAHOFOHFHSB-UHFFFAOYSA-N- Molecular formula
- C18H21F4NO3
- Average molar mass
- 375.4 g/mol
Names & identifiers
- Preferred name
- 4-(2-Fluoro-5-trifluoromethyl-benzoyl)-piperidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 4-[2-fluoro-5-(trifluoromethyl)benzoyl]piperidine-1-carboxylate
Names & synonyms
4-(2-fluoro-5-trifluoromethyl-benzoyl)-piperidine-1-carboxylic acid tert-butyl esterSCHEMBL29604444-(2-fluoro-5-trifluormethyl-benzoyl)-piperidine-1-carboxylic acid tert-butyl ester4-(2-fluoro-5-trifluromethyl-benzoyl)-piperidine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 58817544
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 522
Related reactions
9 records
Compound notes
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