Name: 2′-(Trifluoromethyl)acetophenone
SMILES:
CC(=O)c1ccccc1C(F)(F)FMolecular Processing
Molecular formula
C9H7F3O
Molecular weight
188.15
Exact mass
188.0449
XLogP
2.91
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
41.45
Supplementary Information
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