Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(O)(c2cccc(Cl)c2F)C1- InChIKey
QGMBLJFZWOHDII-UHFFFAOYSA-N- Molecular formula
- C15H19ClFNO3
- Average molar mass
- 315.77 g/mol
- Monoisotopic mass
- 315.1037493
Names & identifiers
- Preferred name
- Tert-butyl 3-(3-chloro-2-fluorophenyl)-3-hydroxypyrrolidine-1-carboxylate
- IUPAC
- tert-butyl 3-(3-chloro-2-fluorophenyl)-3-hydroxypyrrolidine-1-carboxylate
Names & synonyms
1092573-85-7tert-butyl 3-(3-chloro-2-fluorophenyl)-3-hydroxypyrrolidine-1-carboxylateSCHEMBL2429042QGMBLJFZWOHDII-UHFFFAOYSA-NMFCD22173454H70184t-Butyl 3-(3-chloro-2-fluorophenyl)-3-hydroxypyrrolidine-1-carboxylatetert-Butyl 3-(3-chloro-2-fluorophenyl)-3-hydroxypyrrolidin-1-carboxylateTert-butyl-3-(3-chloro-2-fluorophenyl)-3-hydroxypyrrolidin-1-carboxylateTERT-BUTYL 3-(3-CHLORO-2-FLUOROPHENYL)-3-HYDROXYPYRROLIDINE-1 -CARBOXYLATE
Database identifiers
- PubChem CID
- 67404349
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 401
Related reactions
8 records
Compound notes
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