Name: (R)-1-hydroxylethyl-5-(3,4,5-trifluorophenyl)pyrrolidine-1-carboxylic acid t-butyl ester
SMILES:
CC(O)[C@H]1CCC(c2cc(F)c(F)c(F)c2)N1C(=O)OC(C)(C)CMolecular Processing
Molecular formula
C17H22F3NO3
Molecular weight
345.36
Exact mass
345.1552
XLogP
3.93
TPSA
49.77
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
24
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.588
Molar refractivity
81.83
Supplementary Information
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