Basic information
- Standard SMILES
C[C@@]1(c2cc(N)ccc2F)C[C@@H](C(F)(F)F)OC(N)=N1- InChIKey
MYBPEXJEJAEBJI-ONGXEEELSA-N- Molecular formula
- C12H13F4N3O
- Average molar mass
- 291.24 g/mol
Names & identifiers
- Preferred name
- (4S,6S)-4-(5-amino-2-fluorophenyl)-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4H-1,3-oxazin-2-amine
- IUPAC
- (4S,6S)-4-(5-amino-2-fluorophenyl)-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine
Names & synonyms
(4S,6S)-4-(5-amino-2-fluorophenyl)-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4H-1,3-oxazin-2-amineSCHEMBL15149958
Database identifiers
- PubChem CID
- 71663148
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 73.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 401
Related reactions
16 records
Compound notes
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