Nombre: 3-dimethylamino-1-(4-trifluoromethyl-phenyl)-but-2-en-1-one
SMILES:
CC(=CC(=O)c1ccc(C(F)(F)F)cc1)N(C)CMolecular Processing
Molecular formula
C13H14F3NO
Molecular weight
257.25
Exact mass
257.1027
XLogP
3.35
TPSA
20.31
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
63.22
Supplementary Information
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