CC1(COC(C(=N1)N)(C)C(F)(F)F)C2=CC=CC=C2F
CAS: 1262859-67-5
Name: (3R,6R)-3-(2-fluorophenyl)-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-5-amine
SMILES: CC1(COC(C(=N1)N)(C)C(F)(F)F)C2=CC=CC=C2F

Molecular Processing

Molecular formula
C13H14F4N2O
Molecular weight
290.26
Exact mass
290.1042
XLogP
2.75
TPSA
47.61
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
65.79

Supplementary Information

InChIKey: NSVJXHFQOXUSHI-NWDGAFQWSA-N
Synonyme
(2R,5R)-5-(2-Fluorophenyl)-2,5-dimethyl-2-(trifluoromethyl)-5,6-dihydro-2H-1,4-oxazin-3-amine1262859-67-5(2R,5R)-5-(2-Fluoro-phenyl)-2,5-dimethyl-2-trifluoromethyl-5,6-dihydro-2H-[1,4]oxazin-3-ylamineSCHEMBL361251CS-0230055(2R,5R)-5-(2-Fluoro-phenyl)-2,5-dimethyl-2-trifluoromethyl-5,6-di hydro-2H-[1,4]oxazin-3-ylamine
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