CC(C(=O)OC)NC1=C(C(=C(C=C1)F)F)F
Nom: methyl (2R)-2-(2,3,4-trifluoroanilino)propanoate
SMILES: CC(C(=O)OC)NC1=C(C(=C(C=C1)F)F)F

Molecular Processing

Molecular formula
C10H10F3NO2
Molecular weight
233.19
Exact mass
233.0664
XLogP
2.08
TPSA
38.33
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
51.42

Supplementary Information

InChIKey: KFRVJRFFUAQQGC-RXMQYKEDSA-N
Synonymes
SCHEMBL2334831KFRVJRFFUAQQGC-RXMQYKEDSA-NMethyl (2R)-2-(2,3,4-trifluoroanilino)propionate
Voir la source →
Impliqué dans 20 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→