Basic information
- Standard SMILES
CC(=O)[C@H]1COC[C@@H](c2cc(F)c(F)c(F)c2)N1C(=O)OCc1ccccc1- InChIKey
DXIMYDFKSAHVAA-MSOLQXFVSA-N- Molecular formula
- C20H18F3NO4
- Average molar mass
- 393.4 g/mol
- Monoisotopic mass
- 393.11879254
Names & identifiers
- Preferred name
- (3R,5R)-3-acetyl-5-(3,4,5-trifluorophenyl)morpholine-4-carboxylic acid benzyl ester
- IUPAC
- benzyl (3R,5R)-3-acetyl-5-(3,4,5-trifluorophenyl)morpholine-4-carboxylate
Names & synonyms
SCHEMBL2345510DXIMYDFKSAHVAA-MSOLQXFVSA-N(3R,5R) -3-acetyl-5-(3,4,5-trifluorophenyl)morpholin-4-carboxylic acid benzyl ester(3R,5R)-3-acetyl-5-(3,4,5-trifluorophenyl)morpholin-4-carboxylic acid benzyl ester(3R,5R)-3-acetyl-5-(3,4,5-trifluorophenyl)morpholine-4-carboxylic acid benzyl ester
Database identifiers
- PubChem CID
- 67372176
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 546
Related reactions
4 records
Compound notes
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