COc1ccc(F)cc1C(C)(C)CC(=O)C(F)(F)F
名称: 1,1,1-Trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methylpentan-2-one
SMILES: COc1ccc(F)cc1C(C)(C)CC(=O)C(F)(F)F

Molecular Processing

Molecular formula
C13H14F4O2
Molecular weight
278.24
Exact mass
278.093
XLogP
3.63
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
19
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
61.66

Supplementary Information

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