CC(C)(C)ON1CCC(OS(=O)(=O)C(F)(F)F)=CC1=C=O
Name: 1-tert-butoxy-carbonyl-4-trifluoromethanesulfonyloxy-1,2,5,6-tetrahydropyridine
SMILES: CC(C)(C)ON1CCC(OS(=O)(=O)C(F)(F)F)=CC1=C=O

Molecular Processing

Molecular formula
C11H14F3NO5S
Molecular weight
329.3
Exact mass
329.0545
XLogP
1.89
TPSA
72.91
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
21
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.636
Molar refractivity
65.51

Supplementary Information

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