CCOC(=O)C1(c2cc(Cl)c(I)c(OCC(F)(F)F)c2)CCC1
Name: ethyl 1-(3-chloro-4-iodo-5-(2,2,2-trifluoroethoxy)phenyl)cyclobutanecarboxylate
SMILES: CCOC(=O)C1(c2cc(Cl)c(I)c(OCC(F)(F)F)c2)CCC1

Molecular Processing

Molecular formula
C15H15ClF3IO3
Molecular weight
462.63
Exact mass
461.9707
XLogP
4.87
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
23
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
87.88

Supplementary Information

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