SMILES:
CC1(C)Oc2ccc(C(F)(F)C(F)(F)F)cc2C2OC21Molecular Processing
Molecular formula
C13H11F5O2
Molecular weight
294.22
Exact mass
294.0679
XLogP
3.95
TPSA
21.76
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
20
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
58.71
Supplementary Information
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