Ethyl 1-benzyl-4-(4-fluorophenyl)pyrrolidine-3-carboxylate
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Basic information
- Standard SMILES
CCOC(=O)C1CN(Cc2ccccc2)CC1c1ccc(F)cc1- InChIKey
ABXZOFRXQMFYAS-UHFFFAOYSA-N- Molecular formula
- C20H22FNO2
- Average molar mass
- 327.4 g/mol
- Monoisotopic mass
- 327.16345711
Names & identifiers
- Preferred name
- Ethyl 1-benzyl-4-(4-fluorophenyl)pyrrolidine-3-carboxylate
- IUPAC
- ethyl 1-benzyl-4-(4-fluorophenyl)pyrrolidine-3-carboxylate
Names & synonyms
874990-58-6ethyl 1-benzyl-4-(4-fluorophenyl)pyrrolidine-3-carboxylateethyl trans-1-benzyl-4-(4-fluorophenyl)pyrrolidine-3-carboxylateSCHEMBL2782549ABXZOFRXQMFYAS-UHFFFAOYSA-NG79065F1911-4129(3SR,4RS) 1-Benzyl-4-(4-fluoro-phenyl)-pyrrolidine-3-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 12922293
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 402
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Related reactions
1 records
Compound notes
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