名称: (2R,4S)-4-amino-4-(6-bromo-3-fluoropyridin-2-yl)-1,1,1-trifluoropentan-2-ol
SMILES:
C[C@](N)(C[C@H](O)C(F)(F)F)c1nc(Br)ccc1FMolecular Processing
Molecular formula
C10H11BrF4N2O
Molecular weight
331.11
Exact mass
329.9991
XLogP
2.47
TPSA
59.14
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
60.11
Supplementary Information
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