Cn1cc(B2OC(C)(C)C(C)(C)O2)cc(F)c1=O
Name: 3-Fluoro-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
SMILES: Cn1cc(B2OC(C)(C)C(C)(C)O2)cc(F)c1=O

Molecular Processing

Molecular formula
C12H17BFNO3
Molecular weight
253.08
Exact mass
253.1286
XLogP
0.82
TPSA
40.46
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.583
Molar refractivity
67.36

Supplementary Information

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