Basic information
- Standard SMILES
N#Cc1cc(C(F)(F)F)ccc1N1CCOc2c(F)cccc21- InChIKey
MGOQHTXOUGGFSM-UHFFFAOYSA-N- Molecular formula
- C16H10F4N2O
- Average molar mass
- 322.26 g/mol
Names & identifiers
- Preferred name
- 2-(8-fluoro-2H-benzo[b][1,4]oxazin-4(3H)-yl)-5-(trifluoromethyl)benzonitrile
- IUPAC
- 2-(8-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-5-(trifluoromethyl)benzonitrile
Names & synonyms
2-(8-fluoro-2H-benzo[b][1,4]oxazin-4(3H)-yl)-5-(trifluoromethyl)benzonitrileSCHEMBL152024562-(8-fluoro-2H-benzo[b][1,4]oxazin-4(3 H)-yl)-5-(trifluoromethyl)benzonitrile
Database identifiers
- PubChem CID
- 89762016
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 474
Related reactions
2 records
Compound notes
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