Nombre: 4-ethyl-1-[4-(trifluoromethyl)phenyl]azetidin-2-one
SMILES:
CCC1CC(=O)N1C2=CC=C(C=C2)C(F)(F)FMolecular Processing
Molecular formula
C12H12F3NO
Molecular weight
243.23
Exact mass
243.0871
XLogP
3.22
TPSA
20.31
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
57.63
Supplementary Information
InChIKey: PKXIVYGWEHFVPU-UHFFFAOYSA-N
Sinónimos
SCHEMBL5509172PKXIVYGWEHFVPU-UHFFFAOYSA-N4-ethyl-1-[4-(trifluoromethyl)phenyl]azetidin-2-one
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