thiophen-2-yl(trifluoromethylsulfonyloxy)iodanium

C5H3F3IO3S2+ — CID 87513824

IUPACthiophen-2-yl(trifluoromethylsulfonyloxy)iodanium
SMILESO=S(=O)(O[I+]c1cccs1)C(F)(F)F
InChIInChI=1S/C5H3F3IO3S2/c6-5(7,8)14(10,11)12-9-4-2-1-3-13-4/h1-3H/q+1
InChIKeyKLCARNLXQDAEKE-UHFFFAOYSA-N
MW359.11 g/mol
LogP-1.21
Rot. Bonds3

About thiophen-2-yl(trifluoromethylsulfonyloxy)iodanium

thiophen-2-yl(trifluoromethylsulfonyloxy)iodanium (PubChem CID 87513824) has the molecular formula C5H3F3IO3S2+ and a molecular weight of 359.11 g/mol. Its IUPAC name is thiophen-2-yl(trifluoromethylsulfonyloxy)iodanium.

Molecular Properties

Compound Namethiophen-2-yl(trifluoromethylsulfonyloxy)iodanium
PubChem CID87513824
Molecular FormulaC5H3F3IO3S2+
Molecular Weight359.11 g/mol
Exact Mass358.85
IUPAC Namethiophen-2-yl(trifluoromethylsulfonyloxy)iodanium
SMILESO=S(=O)(O[I+]c1cccs1)C(F)(F)F
InChIInChI=1S/C5H3F3IO3S2/c6-5(7,8)14(10,11)12-9-4-2-1-3-13-4/h1-3H/q+1
InChIKeyKLCARNLXQDAEKE-UHFFFAOYSA-N
XLogP-1.21
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.11
LogP ≤ 5-1.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Thiophene-3-sulfonyl Chloride
CID 2776378
Thiophene-2-sulfonyl fluoride
CID 19098976
2-((Trifluoromethyl)sulfonyl)thiophene
CID 12288221
(Dithiophen-2-yl-lambda3-iodanyl) trifluoromethanesulfonate
CID 15738843
2-(Ethylsulfonyl)-5-iodothiophene
CID 786878
3-Iodothiophene-2-sulfonyl chloride
CID 21551506
5-Iodothiophene-2-sulfonyl fluoride
CID 138040474
3-Iodothiophene-2-sulfonyl fluoride
CID 145874622
Dithiophen-2-yliodanium;trifluoromethanesulfonate
CID 160215804
2-(4,4-Difluorobut-3-enylsulfonyl)thiophene
CID 21850501
2,2,2-Trifluoro-1-thiophen-2-ylsulfonylethanone
CID 22100045
2-Thienylsulfonyl-trifluoromethanesulfonyl-methane
CID 22677141

Frequently Asked Questions

What is the IUPAC name of thiophen-2-yl(trifluoromethylsulfonyloxy)iodanium?
The IUPAC name of thiophen-2-yl(trifluoromethylsulfonyloxy)iodanium (CID 87513824) is thiophen-2-yl(trifluoromethylsulfonyloxy)iodanium.
What is the SMILES notation for thiophen-2-yl(trifluoromethylsulfonyloxy)iodanium?
The canonical SMILES for thiophen-2-yl(trifluoromethylsulfonyloxy)iodanium is O=S(=O)(O[I+]c1cccs1)C(F)(F)F.
What is the InChIKey of thiophen-2-yl(trifluoromethylsulfonyloxy)iodanium?
The InChIKey is KLCARNLXQDAEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F3IO3S2/c6-5(7,8)14(10,11)12-9-4-2-1-3-13-4/h1-3H/q+1.
What are the key properties of thiophen-2-yl(trifluoromethylsulfonyloxy)iodanium?
thiophen-2-yl(trifluoromethylsulfonyloxy)iodanium has a molecular weight of 359.11 g/mol, XLogP of -1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-2-yl(trifluoromethylsulfonyloxy)iodanium is sourced from PubChem (CID 87513824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).