tert-butyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)iodanium

C8H9F9IO3S+ — CID 102270071

IUPACtert-butyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)iodanium
SMILESCC(C)(C)[I+]OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H9F9IO3S/c1-4(2,3)18-21-22(19,20)8(16,17)6(11,12)5(9,10)7(13,14)15/h1-3H3/q+1
InChIKeyNZZJZTIRJRPTTO-UHFFFAOYSA-N
MW483.11 g/mol
LogP0.56
Rot. Bonds5

About tert-butyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)iodanium

tert-butyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)iodanium (PubChem CID 102270071) has the molecular formula C8H9F9IO3S+ and a molecular weight of 483.11 g/mol. Its IUPAC name is tert-butyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)iodanium.

Molecular Properties

Compound Nametert-butyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)iodanium
PubChem CID102270071
Molecular FormulaC8H9F9IO3S+
Molecular Weight483.11 g/mol
Exact Mass482.92
IUPAC Nametert-butyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)iodanium
SMILESCC(C)(C)[I+]OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H9F9IO3S/c1-4(2,3)18-21-22(19,20)8(16,17)6(11,12)5(9,10)7(13,14)15/h1-3H3/q+1
InChIKeyNZZJZTIRJRPTTO-UHFFFAOYSA-N
XLogP0.56
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.11
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,23-heptatetracontafluorotricosylsulfonyl 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,23-heptatetracontafluorotricosane-1-sulfonate
CID 88836150
sulfanyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 87639671
bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)gallanyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 16688281
1,1,1-trifluoropropan-2-yl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 14292219
1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylphosphane
CID 152575055
3-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)propyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 87128204
triethylsilyl 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate
CID 22506111
potassium 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylazanide
CID 141294936
(4-methylphenyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 13168749
(4-methoxyphenyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 10740082
2,2-difluoroethyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 56776505
2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 98463141

Frequently Asked Questions

What is the IUPAC name of tert-butyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)iodanium?
The IUPAC name of tert-butyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)iodanium (CID 102270071) is tert-butyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)iodanium.
What is the SMILES notation for tert-butyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)iodanium?
The canonical SMILES for tert-butyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)iodanium is CC(C)(C)[I+]OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of tert-butyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)iodanium?
The InChIKey is NZZJZTIRJRPTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F9IO3S/c1-4(2,3)18-21-22(19,20)8(16,17)6(11,12)5(9,10)7(13,14)15/h1-3H3/q+1.
What are the key properties of tert-butyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)iodanium?
tert-butyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)iodanium has a molecular weight of 483.11 g/mol, XLogP of 0.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)iodanium is sourced from PubChem (CID 102270071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).