Name: (1RS,2SR)-2-amino-1-(3,4-difluorophenyl)-3-(4-(trifluoromethyl)phenyl)-1-propanol
SMILES:
NC(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccc(F)c(F)c1Molecular Processing
Molecular formula
C16H14F5NO
Molecular weight
331.28
Exact mass
331.0996
XLogP
3.59
TPSA
46.25
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
23
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
74.44
Supplementary Information
Details werden geladen…
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