Name: 5-(4-trifluoromethylphenyl)-1,3-cyclohexanedione
SMILES:
O=C1CC(=O)CC(c2ccc(C(F)(F)F)cc2)C1Molecular Processing
Molecular formula
C13H11F3O2
Molecular weight
256.22
Exact mass
256.0711
XLogP
3.11
TPSA
34.14
H-bond donors
0
H-bond acceptors
2
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
5
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
58.05
Supplementary Information
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