(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

HCID 86672007

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

Related reactions

10 records

Compound notes

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