Basic information
- CAS
168102-06-5- Standard SMILES
O=C(O)[C@H]1NCCC1(F)F- InChIKey
AKYUQSFIIOIBHO-GSVOUGTGSA-N- Molecular formula
- C5H7F2NO2
- Average molar mass
- 151.11 g/mol
- Monoisotopic mass
- 151.04448479
Names & identifiers
- Preferred name
- 3,3-Difluoro-L-proline
- IUPAC
- (2R)-3,3-difluoropyrrolidine-2-carboxylic acid
- English name
- Proline, 3,3-difluoro- (9CI)
- Molecular formula
- C5H7F2NO2
- Molecular weight
- 151.11
Names & synonyms
3,3-Difluoro-L-prolineDTXSID50665027RefChem:270274DTXCID206157761932019-87-8(R)-3,3-difluoropyrrolidine-2-carboxylic acid(2R)-3,3-DIFLUOROPYRROLIDINE-2-CARBOXYLIC ACIDProline, 3,3-difluoro- (9CI)SCHEMBL17337929AKYUQSFIIOIBHO-GSVOUGTGSA-NCS-0030121D72558
Show more names
3,3-difluoro-ProlineProline, 3,3-difluoro-3,3-Difluoro-pyrrolidine-2-carboxylic acid
(2R)-3,3-DIFLUOROPYRROLIDINE-2-CARBOXYLICACID
Database identifiers
- CAS
168102-06-5- PubChem CID
- 45082012
- DTXSID
DTXSID50665027- Nikkaji
- J686.248I
Properties
Computed structural properties
- XLogP
- -2.1
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 160
Physicochemical properties
- Boiling point
- 254 · 254.0±40.0 °C(Predicted)
- Density
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- pka
- 0.92 · 0.92±0.40(Predicted)
Chemistry & industry
Applications
Uses3,3-Difluoroproline can be synthesized from N-Carbobenzoxy-β-alanine (C176180) and Mono-tert-butyl Malonate (M525030).
Suppliers1 total
南京合巨药业有限公司025-57027686 17372956142 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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