Basic information
- Standard SMILES
C[C@]1(c2cc(N)ccc2F)N=C(N)OC[C@@H]1OCC(F)(F)F- InChIKey
MACFSGJMBYQPKD-CMPLNLGQSA-N- Molecular formula
- C13H15F4N3O2
- Average molar mass
- 321.27 g/mol
Names & identifiers
- Preferred name
- (4R,5R)-4-(5-amino-2-fluoro-phenyl)-4-methyl-5-(2,2,2-trifluoro-ethoxy)-5,6-dihydro-4H-[1,3]oxazin-2-ylamine
- IUPAC
- (4R,5R)-4-(5-amino-2-fluorophenyl)-4-methyl-5-(2,2,2-trifluoroethoxy)-5,6-dihydro-1,3-oxazin-2-amine
Names & synonyms
SCHEMBL12980854MACFSGJMBYQPKD-CMPLNLGQSA-N(4R,5R)-4-(5-amino-2-fluoro-phenyl)-4-methyl-5-(2,2,2-trifluoro-ethoxy)-5,6-dihydro-4H-[1,3]oxazin-2-ylamine
Database identifiers
- PubChem CID
- 86672007
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 82.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 432
Related reactions
10 records
Compound notes
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