Nom: 3-(4-(trifluoromethoxy)benzyl)pyrrolidin-2-one
SMILES:
O=C1NCCC1Cc1ccc(OC(F)(F)F)cc1Molecular Processing
Molecular formula
C12H12F3NO2
Molecular weight
259.23
Exact mass
259.082
XLogP
2.26
TPSA
38.33
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
57.95
Supplementary Information
Récupération des détails…
Impliqué dans 3 réactions→