Basic information
- Standard SMILES
Fc1ccc(-c2cc3n(n2)CC(F)(F)CO3)cc1- InChIKey
LHRGSJDDVJUIAE-UHFFFAOYSA-N- Molecular formula
- C12H9F3N2O
- Average molar mass
- 254.21 g/mol
- Monoisotopic mass
- 254.0666974
Names & identifiers
- Preferred name
- 6,6-difluoro-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
- IUPAC
- 6,6-difluoro-2-(4-fluorophenyl)-5,7-dihydropyrazolo[5,1-b][1,3]oxazine
Names & synonyms
1429893-49-16,6-difluoro-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine6,6-difluoro-2-(4-fluorophenyl)-5,7-dihydropyrazolo[5,1-b][1,3]oxazineSCHEMBL14844731PS-18312F89315
Database identifiers
- PubChem CID
- 89488229
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 27.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 308
Related reactions
1 records
Compound notes
Loading…