Basic information
- Standard SMILES
O=C1OC(c2ccccc2)CCN1Cc1cc(C(F)(F)F)ccc1I- InChIKey
VITCEKDNNUXVIL-UHFFFAOYSA-N- Molecular formula
- C18H15F3INO2
- Average molar mass
- 461.2 g/mol
Names & identifiers
- Preferred name
- 3-[2-Iodo-5-(trifluoromethyl)benzyl]-6-phenyl-1,3-oxazinan-2-one
- IUPAC
- 3-[[2-iodo-5-(trifluoromethyl)phenyl]methyl]-6-phenyl-1,3-oxazinan-2-one
Names & synonyms
3-[2-iodo-5-(trifluoromethyl)benzyl]-6-phenyl-1,3-oxazinan-2-oneSCHEMBL4326102
Database identifiers
- PubChem CID
- 57544356
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 468
Related reactions
2 records
Compound notes
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