Basic information
- Standard SMILES
CCN(CC)C(=O)C1CCN(C(=O)OCC(Cl)(Cl)Cl)C1- InChIKey
PTLVPRBUWQOUEQ-UHFFFAOYSA-N- Molecular formula
- C12H19Cl3N2O3
- Average molar mass
- 345.6 g/mol
- Monoisotopic mass
- 344.046126
Names & identifiers
- Preferred name
- 3-Diethylcarbamoyl-pyrrolidine-1-carboxylic acid 2,2,2-trichloro-ethyl ester
- IUPAC
- 2,2,2-trichloroethyl 3-(diethylcarbamoyl)pyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL6183840PTLVPRBUWQOUEQ-UHFFFAOYSA-N3-diethylcarbamoyl-pyrrolidine-1-carboxylic acid 2,2,2-trichloro-ethyl ester
Database identifiers
- PubChem CID
- 69694586
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 49.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 356
Related reactions
1 records
Compound notes
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