Basic information
- CAS
1016739-65-3- Standard SMILES
O=C(O)C1CC(=O)N(c2cc(F)ccc2F)C1- InChIKey
ZHZMVBGSAVVDRX-UHFFFAOYSA-N- Molecular formula
- C11H9F2NO3
- Average molar mass
- 241.19 g/mol
- Monoisotopic mass
- 241.05504947
Names & identifiers
- Preferred name
- 1-(2,5-Difluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
- IUPAC
- 1-(2,5-difluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
Names & synonyms
1-(2,5-DIFLUOROPHENYL)-5-OXOPYRROLIDINE-3-CARBOXYLIC ACID1016739-65-3AKOS000163296EN300-12765951
Database identifiers
- CAS
1016739-65-3- PubChem CID
- 20121275
- EC Number
- 193-676-2
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 337
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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