Name: (R)-tert-butyl 3-(3-chloro-4-fluorobenzoyl)piperidine-1-carboxylate
SMILES:
CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)c2ccc(F)c(Cl)c2)C1Molecular Processing
Molecular formula
C17H21ClFNO3
Molecular weight
341.81
Exact mass
341.1194
XLogP
4.31
TPSA
46.61
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
23
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.529
Molar refractivity
86.27
Supplementary Information
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