Basic information
- Standard SMILES
C[C@H]1C[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OC(=O)N1Cc1cc(C(F)(F)F)ccc1I- InChIKey
DMWHYIFMHQAZMY-BTDLBPIBSA-N- Molecular formula
- C21H15F9INO2
- Average molar mass
- 611.2 g/mol
Names & identifiers
- Preferred name
- (4S,6S)-6-[3,5-bis(trifluoromethyl)phenyl]-3-[2-iodo-5-(trifluoromethyl)benzyl]-4-methyl-1,3-oxazinan-2-one
- IUPAC
- (4S,6S)-6-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-iodo-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazinan-2-one
Names & synonyms
(4S,6S)-6-[3,5-bis(trifluoromethyl)phenyl]-3-[2-iodo-5-(trifluoromethyl)benzyl]-4-methyl-1,3-oxazinan-2-oneSCHEMBL4307436
Database identifiers
- PubChem CID
- 57544352
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 3
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 705
Related reactions
4 records
Compound notes
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