Basic information
- Standard SMILES
CO[C@H]1CN(c2ccc(I)c(Cc3ccccc3)n2)C[C@H]1OCF- InChIKey
XZMHQTHHHPXNCJ-DLBZAZTESA-N- Molecular formula
- C18H20FIN2O2
- Average molar mass
- 442.3 g/mol
Names & identifiers
- Preferred name
- 2-benzyl-6-[(3R,4S)-3-(fluoromethoxy)-4-methoxypyrrolidine-1-yl]-3-iodopyridine
- IUPAC
- 2-benzyl-6-[(3R,4S)-3-(fluoromethoxy)-4-methoxypyrrolidin-1-yl]-3-iodopyridine
Names & synonyms
SCHEMBL6377218XZMHQTHHHPXNCJ-DLBZAZTESA-N2-benzyl-6-[(3R,4S)-3-(fluoromethoxy)-4-methoxypyrrolidine-1-yl]-3-iodopyridine
Database identifiers
- PubChem CID
- 69758693
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 34.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 384
Related reactions
2 records
Compound notes
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