Basic information
- Standard SMILES
O=[N+]([O-])c1ccc(OC2CCN(Cc3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)CC2)cc1- InChIKey
TVAQLFCFVQEYGW-UHFFFAOYSA-N- Molecular formula
- C21H20F6N2O4
- Average molar mass
- 478.4 g/mol
- Monoisotopic mass
- 478.1327261
Names & identifiers
- Preferred name
- 1,1,1,3,3,3-Hexafluoro-2-(4-((4-(4-nitrophenoxy)piperidin-1-yl)methyl)phenyl)propan-2-ol
- IUPAC
- 1,1,1,3,3,3-hexafluoro-2-[4-[[4-(4-nitrophenoxy)piperidin-1-yl]methyl]phenyl]propan-2-ol
Names & synonyms
1,1,1,3,3,3-Hexafluoro-2-(4-((4-(4-nitrophenoxy)piperidin-1-yl)methyl)phenyl)propan-2-olSCHEMBL12274214
Database identifiers
- PubChem CID
- 86670925
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 78.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 631
Related reactions
2 records
Compound notes
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