Basic information
- Standard SMILES
C[C@H]1[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OC(=O)N1Cc1cc(C(F)(F)F)ccc1Br- InChIKey
MMOWBOZJTMPACZ-FVMDXXJSSA-N- Molecular formula
- C20H13BrF9NO2
- Average molar mass
- 550.2 g/mol
- Monoisotopic mass
- 548.99859
Names & identifiers
- Preferred name
- (4S,5R)-5-(3,5-Bis-trifluoromethyl-phenyl)-3-(2-bromo-5-trifluoromethyl-benzyl)-4-methyl-oxazolidin-2-one
- IUPAC
- (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one
Names & synonyms
(4S,5R)-5-(3,5-Bis-trifluoromethyl-phenyl)-3-(2-bromo-5-trifluoromethyl-benzyl)-4-methyl-oxazolidin-2-oneSCHEMBL1060483
Database identifiers
- PubChem CID
- 86650342
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 3
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 689
Related reactions
1 records
Compound notes
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