CC(C)(C)OC(=O)N1CCC(c2cc(C(F)(F)F)ccc2Br)CC1
SMILES: CC(C)(C)OC(=O)N1CCC(c2cc(C(F)(F)F)ccc2Br)CC1

Molecular Processing

Molecular formula
C17H21BrF3NO2
Molecular weight
408.26
Exact mass
407.0708
XLogP
5.58
TPSA
29.54
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
24
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.588
Molar refractivity
88.93

Supplementary Information

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