NC(Cc1ccc(Br)cc1)(c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1
Name: 2-(4-bromophenyl)-1,1-bis(3-(trifluoromethoxy)phenyl)ethanamine
SMILES: NC(Cc1ccc(Br)cc1)(c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1

Molecular Processing

Molecular formula
C22H16BrF6NO2
Molecular weight
520.27
Exact mass
519.0269
XLogP
6.69
TPSA
44.48
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
32
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
109.06

Supplementary Information

Details werden geladen…

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