4-Fluoropyrrolidine-2-carboxamide
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Basic information
- CAS
934972-82-4- Standard SMILES
NC(=O)C1CC(F)CN1- InChIKey
UMTORPRXIWIVFS-UHFFFAOYSA-N- Molecular formula
- C5H9FN2O
- Average molar mass
- 132.14 g/mol
- Monoisotopic mass
- 132.06989108
Names & identifiers
- Preferred name
- 4-Fluoropyrrolidine-2-carboxamide
- IUPAC
- 4-fluoropyrrolidine-2-carboxamide
- English name
- 4-Fluoropyrrolidine-2-carboxamide
- Molecular formula
- C5H9FN2O
- Molecular weight
- 132.14
Names & synonyms
4-Fluoropyrrolidine-2-carboxamide934972-82-4rac-(2R,4S)-4-Fluoropyrrolidine-2-carboxamideSCHEMBL4758996UMTORPRXIWIVFS-UHFFFAOYSA-NBJB50926AKOS016005998DB-3323084-Fluoro-pyrrolidine-2-carboxylic acid amidEN300-244717F1907-21442-Pyrrolidinecarboxamide, 4-fluoro-
Database identifiers
- CAS
934972-82-4- PubChem CID
- 17856397
Properties
Computed structural propertiesFilling in
- XLogP
- -0.7
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 128
Physicochemical properties
- Boiling point
- 316.5 · 316.5±42.0 °C(Predicted)
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 15.98 · 15.98±0.40(Predicted)
Chemistry & industry
Applications
Uses4-Fluoropyrrolidine-2-carboxamide is a useful reagent in the preparation of phenylalanine-based dipeptide nitrile containing a 2-cyanopyrrolidine moiety as DPP-IV inhibitor.
Related reactions
6 records
Compound notes
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