1-(3-mercapto-2-trifluoromethylpropanoyl)-4,4-difluoro-L-proline
Basic information
- Standard SMILES
O=C(O)[C@@H]1CC(F)(F)CN1C(=O)C(CS)C(F)(F)F- InChIKey
JMIJGDIZTWKYPE-AKGZTFGVSA-N- Molecular formula
- C9H10F5NO3S
- Average molar mass
- 307.24 g/mol
Names & identifiers
- Preferred name
- 1-(3-mercapto-2-trifluoromethylpropanoyl)-4,4-difluoro-L-proline
- IUPAC
- (2S)-4,4-difluoro-1-[3,3,3-trifluoro-2-(sulfanylmethyl)propanoyl]pyrrolidine-2-carboxylic acid
Names & synonyms
1-(3-mercapto-2-trifluoromethylpropanoyl)-4,4-difluoro-L-prolineSCHEMBL11448748
Database identifiers
- PubChem CID
- 22807995
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 387
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Related reactions
2 records
Compound notes
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