Basic information
- Standard SMILES
Nc1ccc(OC2CCN(Cc3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)CC2)c(Br)c1- InChIKey
ALEBVPWPNITESJ-UHFFFAOYSA-N- Molecular formula
- C21H21BrF6N2O2
- Average molar mass
- 527.3 g/mol
- Monoisotopic mass
- 526.06906
Names & identifiers
- Preferred name
- 2-(4-((4-(4-Amino-2-bromophenoxy)piperidin-1-yl)methyl)phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
- IUPAC
- 2-[4-[[4-(4-amino-2-bromophenoxy)piperidin-1-yl]methyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
Names & synonyms
2-(4-((4-(4-Amino-2-bromophenoxy)piperidin-1-yl)methyl)phenyl)-1,1,1,3,3,3-hexafluoropropan-2-olSCHEMBL12273808
Database identifiers
- PubChem CID
- 86670933
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 590
Related reactions
2 records
Compound notes
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