Name: 2-[(2R,5S)-5-(3,4-difluorophenyl)pyrrolidine-2-yl]propane-2-ol
SMILES:
CC(C)(O)[C@H]1CC[C@@H](c2ccc(F)c(F)c2)N1Molecular Processing
Molecular formula
C13H17F2NO
Molecular weight
241.28
Exact mass
241.1278
XLogP
2.53
TPSA
32.26
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
61.55
Supplementary Information
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