Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(=Cc2cccc(Oc3ccc(OCC(F)(F)F)cc3)c2)CC1- InChIKey
TTXTVHOUKIRZBU-UHFFFAOYSA-N- Molecular formula
- C25H28F3NO4
- Average molar mass
- 463.5 g/mol
- Monoisotopic mass
- 463.19704286
Names & identifiers
- Preferred name
- Tert-butyl 4-(3-(4-(2,2,2-trifluoroethoxy)phenoxy)benzylidene)piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-[[3-[4-(2,2,2-trifluoroethoxy)phenoxy]phenyl]methylidene]piperidine-1-carboxylate
Names & synonyms
tert-butyl 4-(3-(4-(2,2,2-trifluoroethoxy)phenoxy)benzylidene)piperidine-1-carboxylateSCHEMBL1011421
Database identifiers
- PubChem CID
- 66876113
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 48 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 656
Related reactions
4 records
Compound notes
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