Basic information
- Standard SMILES
CCOC(=O)CC(CN1CCCC(c2cccc(C(F)(F)F)c2)C1)C(F)(F)F- InChIKey
JGGAXYFQEDHRBY-UHFFFAOYSA-N- Molecular formula
- C19H23F6NO2
- Average molar mass
- 411.4 g/mol
Names & identifiers
- Preferred name
- 4,4,4-Trifluoro-3-[3-(3-trifluoromethylphenyl)-piperidin-1-ylmethyl]-butyric acid ethyl ester
- IUPAC
- ethyl 4,4,4-trifluoro-3-[[3-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]butanoate
Names & synonyms
4,4,4-trifluoro-3-[3-(3-trifluoromethylphenyl)-piperidin-1-ylmethyl]-butyric acid ethyl esterSCHEMBL156501994,4,4-trifluoro-3-[3-(3-trifluoromethyl-phenyl)-piperidin-1-ylmethyl]-butyric acid ethyl ester
Database identifiers
- PubChem CID
- 90103432
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 508
Related reactions
1 records
Compound notes
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