Basic information
- Standard SMILES
CC(O)(CO)COc1ccc(N2CCC(Oc3ccc(OC(F)(F)F)cc3)CC2)cc1- InChIKey
HLDIJEYVAMSFEY-UHFFFAOYSA-N- Molecular formula
- C22H26F3NO5
- Average molar mass
- 441.4 g/mol
- Monoisotopic mass
- 441.17630742
Names & identifiers
- Preferred name
- 2-Methyl-3-(4-{4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl}phenoxy)propane-1,2-diol
- IUPAC
- 2-methyl-3-[4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]phenoxy]propane-1,2-diol
Names & synonyms
2-methyl-3-(4-{4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl}phenoxy)propane-1,2-diolSCHEMBL2314441
Database identifiers
- PubChem CID
- 53345566
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 71.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 528
Related reactions
4 records
Compound notes
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