Basic information
- CAS
2322032-23-3- Standard SMILES
CCOC(=O)C1CN(Cc2ccccc2)CC1c1ccc(OC(F)F)cc1- InChIKey
XFDRDJRVXYPGPP-UHFFFAOYSA-N- Molecular formula
- C21H23F2NO3
- Average molar mass
- 375.4 g/mol
- Monoisotopic mass
- 375.16459992
Names & identifiers
- Preferred name
- Ethyl 1-benzyl-4-(4-(difluoromethoxy)phenyl)pyrrolidine-3-carboxylate
- IUPAC
- ethyl 1-benzyl-4-[4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxylate
- English name
- Trans-ethyl -1-benzyl-4-(4-(difluoromethoxy)phenyl)pyrrolidine-3-carboxylate
- Molecular formula
- C21H23F2NO3
- Molecular weight
- 375.41
Names & synonyms
Ethyl 1-benzyl-4-(4-(difluoromethoxy)phenyl)pyrrolidine-3-carboxylateethyl 1-benzyl-4-[4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxylatestarbld0028528F1911-4114Trans-ethyl -1-benzyl-4-(4-(difluoromethoxy)phenyl)pyrrolidine-3-carboxylateEthyl (3R,4S)-1-benzyl-4-(4-(difluoromethoxy)phenyl)pyrrolidine-3-carboxylate3-Pyrrolidinecarboxylic acid, 4-[4-(difluoromethoxy)phenyl]-1-(phenylmethyl)-, ethyl ester
Database identifiers
- CAS
2322032-23-3- PubChem CID
- 134162530
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 462
Physicochemical properties
- Boiling point
- 447.2 · 447.2±45.0 °C(Predicted)
- Density
- 1.204 · 1.204±0.06 g/cm3(Predicted)
- pka
- 7.79 · 7.79±0.60(Predicted)
Chemistry & industry
Suppliers3 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
北京奥秘佳得医药科技有限公司+86-13522808617 · [email protected]
上海迈瑞尔生化科技有限公司18621169109 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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