Basic information
- Standard SMILES
COC1(c2ccc(F)c(Cl)c2)CCN(Cc2ccccc2)C1- InChIKey
DWHQOXYMEWOULU-UHFFFAOYSA-N- Molecular formula
- C18H19ClFNO
- Average molar mass
- 319.8 g/mol
Names & identifiers
- Preferred name
- 1-Benzyl-3-(3-chloro-4-fluorophenyl)-3-methoxypyrrolidine
- IUPAC
- 1-benzyl-3-(3-chloro-4-fluorophenyl)-3-methoxypyrrolidine
Names & synonyms
SCHEMBL2419668DWHQOXYMEWOULU-UHFFFAOYSA-N1-benzyl-3-(3-chloro-4-fluorophenyl)-3-methoxypyrrolidine(+)-1-benzyl-3-(3-chloro-4-fluorophenyl)-3-methoxypyrrolidine(-)-1-benzyl-3-(3-chloro-4-fluorophenyl)-3-methoxypyrrolidine
Database identifiers
- PubChem CID
- 67401205
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 363
Related reactions
4 records
Compound notes
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