Basic information
- Standard SMILES
C[C@@H]1CO[C@@](O)(c2cc(F)cc(F)c2)[C@H](C)N1C(=O)OCCl- InChIKey
RQWWLCJMSUKNTO-TVLCNXBWSA-N- Molecular formula
- C14H16ClF2NO4
- Average molar mass
- 335.73 g/mol
Names & identifiers
- Preferred name
- (2S,3S,5R)-2-(3,5-difluorophenyl)-2-hydroxy-3,5-dimethylmorpholine-4-carboxylic acid chloromethyl ester
- IUPAC
- chloromethyl (2S,3S,5R)-2-(3,5-difluorophenyl)-2-hydroxy-3,5-dimethylmorpholine-4-carboxylate
Names & synonyms
SCHEMBL2963193RQWWLCJMSUKNTO-TVLCNXBWSA-N(2S,3S,5R)-2-(3,5-difluorophenyl)-2-hydroxy-3,5-dimethylmorpholine-4-carboxylic acid chloromethyl ester
Database identifiers
- PubChem CID
- 59613210
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 406
Related reactions
2 records
Compound notes
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