CC1=CN=CN1C2=C(C=C(C=C2)OC(F)(F)F)C#N
Nom: 2-(5-methylimidazol-1-yl)-5-(trifluoromethoxy)benzonitrile
SMILES: CC1=CN=CN1C2=C(C=C(C=C2)OC(F)(F)F)C#N

Molecular Processing

Molecular formula
C12H8F3N3O
Molecular weight
267.21
Exact mass
267.0619
XLogP
2.95
TPSA
50.84
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
59.7

Supplementary Information

InChIKey: GPUZBFFBMVAQTB-UHFFFAOYSA-N
Synonymes
2-(5-methyl-imidazol-1-yl)-5-trifluoromethoxy-benzonitrileSCHEMBL28278435-trifluoromethoxy-2-(5-methyl-imidazol-1-yl)-benzonitrile
Voir la source →
Impliqué dans 4 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→