Name: 1-(3-amino-5-tert-butyl-2-methoxyphenyl)-2,2,2-trifluoroethanol
SMILES:
COc1c(N)cc(C(C)(C)C)cc1C(O)C(F)(F)FMolecular Processing
Molecular formula
C13H18F3NO2
Molecular weight
277.29
Exact mass
277.129
XLogP
3.17
TPSA
55.48
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
19
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
67.12
Supplementary Information
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