Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1N
Name: 3,5-bis(trifluoromethyl)-1,2-diaminobenzene
SMILES: Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1N

Molecular Processing

Molecular formula
C8H6F6N2
Molecular weight
244.14
Exact mass
244.0435
XLogP
2.89
TPSA
52.04
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
45.27

Supplementary Information

Details werden geladen…

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