Basic information
- Standard SMILES
CC(=C1CCNCC1)c1cccc(Oc2ccc(C(F)(F)F)cn2)c1.O=C(O)C(F)(F)F- InChIKey
FXGJTBXSWJNAPK-UHFFFAOYSA-N- Molecular formula
- C21H20F6N2O3
- Average molar mass
- 462.4 g/mol
- Monoisotopic mass
- 462.13781148
Names & identifiers
- Preferred name
- 2-(3-(1-(Piperidin-4-ylidene)ethyl)phenoxy)-5-(trifluoromethyl)pyridine trifluoroacetate
- IUPAC
- 2-[3-(1-piperidin-4-ylideneethyl)phenoxy]-5-(trifluoromethyl)pyridine;2,2,2-trifluoroacetic acid
Names & synonyms
2-(3-(1-(Piperidin-4-ylidene)ethyl)phenoxy)-5-(trifluoromethyl)pyridine trifluoroacetateSCHEMBL1011300
Database identifiers
- PubChem CID
- 86623912
Properties
Computed structural properties
- Topological polar surface area
- 71.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 3
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 553
Related reactions
2 records
Compound notes
Loading…