Name: 1-[4-(trifluoromethyl)phenyl]butan-1-amine
SMILES:
CCCC(N)c1ccc(C(F)(F)F)cc1Molecular Processing
Molecular formula
C11H14F3N
Molecular weight
217.23
Exact mass
217.1078
XLogP
3.51
TPSA
26.02
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
53.28
Supplementary Information
Details werden geladen…
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