Name: ethyl 2-[4-(1,1-difluoroethyl)benzyl]-3-(4-fluorophenyl)-3-oxopropionate
SMILES:
CCOC(=O)C(Cc1ccc(C(C)(F)F)cc1)C(=O)c1ccc(F)cc1Molecular Processing
Molecular formula
C20H19F3O3
Molecular weight
364.36
Exact mass
364.1286
XLogP
4.54
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
26
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
90.57
Supplementary Information
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