1,1,2,2,3,3,3-heptafluoropropane-1-sulfonyl iodide

C3F7IO2S — CID 87237688

IUPAC1,1,2,2,3,3,3-heptafluoropropane-1-sulfonyl iodide
SMILESO=S(=O)(I)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C3F7IO2S/c4-1(5,2(6,7)8)3(9,10)14(11,12)13
InChIKeyCKGXOJLVPKPGQU-UHFFFAOYSA-N
MW359.99 g/mol
LogP2.54
Rot. Bonds2

About 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonyl iodide

1,1,2,2,3,3,3-heptafluoropropane-1-sulfonyl iodide (PubChem CID 87237688) has the molecular formula C3F7IO2S and a molecular weight of 359.99 g/mol. Its IUPAC name is 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonyl iodide.

Molecular Properties

Compound Name1,1,2,2,3,3,3-heptafluoropropane-1-sulfonyl iodide
PubChem CID87237688
Molecular FormulaC3F7IO2S
Molecular Weight359.99 g/mol
Exact Mass359.86
IUPAC Name1,1,2,2,3,3,3-heptafluoropropane-1-sulfonyl iodide
SMILESO=S(=O)(I)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C3F7IO2S/c4-1(5,2(6,7)8)3(9,10)14(11,12)13
InChIKeyCKGXOJLVPKPGQU-UHFFFAOYSA-N
XLogP2.54
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.99
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane-1-sulfonyl iodide
CID 89346717
silver 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate
CID 88642392
1,1,2,2,3,3,3-heptafluoropropylsulfonylazanide
CID 154269472
bis(1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate);iridium
CID 162115807
bis(1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate);mercury(2+)
CID 22604813
lithium 1,1,2,2,3,3,3-heptafluoro-N-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)propane-1-sulfonamide
CID 173199731
difluoro(iodo)methanesulfonyl iodide
CID 143365463
1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid;stibane
CID 173196652
lithium;hydride;1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonic acid
CID 173020254
1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonic acid;hydrofluoride
CID 174742552
methanol;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid
CID 144756171
sodium perfluoroheptanesulfonate
CID 87558139

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonyl iodide?
The IUPAC name of 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonyl iodide (CID 87237688) is 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonyl iodide.
What is the SMILES notation for 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonyl iodide?
The canonical SMILES for 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonyl iodide is O=S(=O)(I)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonyl iodide?
The InChIKey is CKGXOJLVPKPGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3F7IO2S/c4-1(5,2(6,7)8)3(9,10)14(11,12)13.
What are the key properties of 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonyl iodide?
1,1,2,2,3,3,3-heptafluoropropane-1-sulfonyl iodide has a molecular weight of 359.99 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonyl iodide is sourced from PubChem (CID 87237688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).