C1CCN(C(=O)C1)CC2=CC(=C(C=C2)F)Cl
Nom: 1-[(3-chloro-4-fluorophenyl)methyl]piperidin-2-one
SMILES: C1CCN(C(=O)C1)CC2=CC(=C(C=C2)F)Cl

Molecular Processing

Molecular formula
C12H13ClFNO
Molecular weight
241.69
Exact mass
241.067
XLogP
2.99
TPSA
20.31
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
60.68

Supplementary Information

InChIKey: GLVSMFKJMWHRMR-UHFFFAOYSA-N
Synonymes
SCHEMBL1337581GLVSMFKJMWHRMR-UHFFFAOYSA-N1-(3-Chloro-4-fluorobenzyl)piperidin-2-one
Voir la source →
Impliqué dans 14 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→