Basic information
- Standard SMILES
C[C@]1(c2cc(N)ccc2F)N=C(N)OC[C@H]1F- InChIKey
CBEUYSJKMPLJSF-MWLCHTKSSA-N- Molecular formula
- C11H13F2N3O
- Average molar mass
- 241.24 g/mol
Names & identifiers
- Preferred name
- (4R,5S)-4-(5-amino-2-fluoro-phenyl)-5-fluoro-4-methyl-5,6-dihydro-4H-[1,3]oxazin-2-ylamine
- IUPAC
- (4R,5S)-4-(5-amino-2-fluorophenyl)-5-fluoro-4-methyl-5,6-dihydro-1,3-oxazin-2-amine
Names & synonyms
SCHEMBL12980758CBEUYSJKMPLJSF-MWLCHTKSSA-N(4R,5S)-4-(5-amino-2-fluoro-phenyl)-5-fluoro-4-methyl-5,6-dihydro-4H-[1,3]oxazin-2-ylamine
Database identifiers
- PubChem CID
- 86672005
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 73.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 326
Related reactions
8 records
Compound notes
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