C1=CC(=C(C(=C1)I)OC(=O)C(F)(F)F)OC(=O)C(F)(F)F
Name: [3-iodo-2-(2,2,2-trifluoroacetyl)oxyphenyl] 2,2,2-trifluoroacetate
SMILES: C1=CC(=C(C(=C1)I)OC(=O)C(F)(F)F)OC(=O)C(F)(F)F

Molecular Processing

Molecular formula
C10H3F6IO4
Molecular weight
428.02
Exact mass
427.898
XLogP
3.23
TPSA
52.6
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
21
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
62.54

Supplementary Information

InChIKey: WSEYRYIQSMUYMG-UHFFFAOYSA-N
Synonyme
bistrifluoroacetoxyiodobenzeneSCHEMBL44659bis(trifluoro-acetoxy)iodobenzenebis(trifluoroacetoxy)iodo benzenebis-(trifluoroacetoxy)iodobenzeneSCHEMBL29372709bis-(trifluoroacetoxy)-iodobenzeneBIS(TRIFLUOROACETOXY) IODOBENZENE
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