C1CC2COCC(N2C(=O)C1)C3=CC(=C(C(=C3)F)F)F
CAS: 937816-17-6
Название: (4R,9aS)-4-(3,4,5-trifluorophenyl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one
SMILES: C1CC2COCC(N2C(=O)C1)C3=CC(=C(C(=C3)F)F)F

Molecular Processing

Molecular formula
C14H14F3NO2
Molecular weight
285.26
Exact mass
285.0977
XLogP
2.56
TPSA
29.54
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
20
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
64.36

Supplementary Information

InChIKey: OAOYQXITIDWHKG-CABZTGNLSA-N
Синонимы
937816-17-6(4R,9aS)-4-(3,4,5-Trifluorophenyl)hexahydropyrido[2,1-c][1,4]oxazin-6(1H)-one(4R,9aS)-4-(3,4,5-trifluorophenyl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-6-oneSCHEMBL2584768DTXSID60657498OAOYQXITIDWHKG-CABZTGNLSA-NDB-327836(4R,9aS)-4-(3,4,5-trifluorophenyl)-octahydropyrido[2,1-c][1,4]oxazin-6-one(4R,9aS)-4-(3,4,5-trifluorophenyl)hexahydropyrido[2,1-c][1,4]oxazin-6-one
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