Name: 3-methyl-3-(4-trifluoromethylphenyl)-1-butyne
SMILES:
C#CC(C)(C)c1ccc(C(F)(F)F)cc1Molecular Processing
Molecular formula
C12H11F3
Molecular weight
212.21
Exact mass
212.0813
XLogP
3.62
TPSA
0
H-bond donors
0
H-bond acceptors
0
Rotatable bonds
1
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
53.3
Supplementary Information
Details werden geladen…
An 8 Reaktionen beteiligt→