1,1,2,2-tetrafluoro-2-iodoethanesulfonyl fluoride

C2F5IO2S — CID 19898065

IUPAC1,1,2,2-tetrafluoro-2-iodoethanesulfonyl fluoride
SMILESO=S(=O)(F)C(F)(F)C(F)(F)I
InChIInChI=1S/C2F5IO2S/c3-1(4,8)2(5,6)11(7,9)10
InChIKeyWXPCGHJEXNXQMF-UHFFFAOYSA-N
MW309.98 g/mol
LogP1.91
Rot. Bonds2

About 1,1,2,2-tetrafluoro-2-iodoethanesulfonyl fluoride

1,1,2,2-tetrafluoro-2-iodoethanesulfonyl fluoride (PubChem CID 19898065) has the molecular formula C2F5IO2S and a molecular weight of 309.98 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-2-iodoethanesulfonyl fluoride.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-2-iodoethanesulfonyl fluoride
PubChem CID19898065
Molecular FormulaC2F5IO2S
Molecular Weight309.98 g/mol
Exact Mass309.86
IUPAC Name1,1,2,2-tetrafluoro-2-iodoethanesulfonyl fluoride
SMILESO=S(=O)(F)C(F)(F)C(F)(F)I
InChIInChI=1S/C2F5IO2S/c3-1(4,8)2(5,6)11(7,9)10
InChIKeyWXPCGHJEXNXQMF-UHFFFAOYSA-N
XLogP1.91
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.98
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

lithium;hydride;bis(1,1,2,2-tetrafluoroethane-1,2-disulfonyl fluoride)
CID 173049005
1,1,2,2-tetrafluoro-2-fluorosulfonylethanesulfonic acid
CID 15135176
azane;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl fluoride;dihydrofluoride
CID 175311052
difluoro(iodo)methanesulfonyl iodide
CID 143365463
potassium 1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropane-1-sulfonate
CID 23676030
cesium 1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropane-1-sulfonate
CID 23676032
1,1,2,2-tetrafluoro-2-(1,1,2,2,3-pentafluoropropoxy)ethanesulfonyl fluoride
CID 158210089
1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propane-1-sulfonyl fluoride
CID 165365650
1,1,2,2-tetrafluoro-2-(2,3,3-trifluorooxiran-2-yl)ethanesulfonyl fluoride
CID 169224044
1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propan-2-yl]oxyethanesulfonyl fluoride
CID 14687568
trifluoro-[iodo-bis(trifluoromethylsulfonyl)methyl]sulfonylmethane
CID 141352262
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,12,12,12-tricosafluorododecane-1-sulfonyl fluoride
CID 89466590

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrafluoro-2-iodoethanesulfonyl fluoride?
The IUPAC name of 1,1,2,2-tetrafluoro-2-iodoethanesulfonyl fluoride (CID 19898065) is 1,1,2,2-tetrafluoro-2-iodoethanesulfonyl fluoride.
What is the SMILES notation for 1,1,2,2-tetrafluoro-2-iodoethanesulfonyl fluoride?
The canonical SMILES for 1,1,2,2-tetrafluoro-2-iodoethanesulfonyl fluoride is O=S(=O)(F)C(F)(F)C(F)(F)I.
What is the InChIKey of 1,1,2,2-tetrafluoro-2-iodoethanesulfonyl fluoride?
The InChIKey is WXPCGHJEXNXQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2F5IO2S/c3-1(4,8)2(5,6)11(7,9)10.
What are the key properties of 1,1,2,2-tetrafluoro-2-iodoethanesulfonyl fluoride?
1,1,2,2-tetrafluoro-2-iodoethanesulfonyl fluoride has a molecular weight of 309.98 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoro-2-iodoethanesulfonyl fluoride is sourced from PubChem (CID 19898065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).