bis(1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate);iridium

C6F14IrO6S2-2 — CID 162115807

IUPACbis(1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate);iridium
SMILESO=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)F.[Ir]
InChIInChI=1S/2C3HF7O3S.Ir/c2*4-1(5,2(6,7)8)3(9,10)14(11,12)13;/h2*(H,11,12,13);/p-2
InChIKeyQSBHMOTUIIVHOJ-UHFFFAOYSA-L
MW690.38 g/mol
LogP2.64
Rot. Bonds4

About bis(1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate);iridium

bis(1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate);iridium (PubChem CID 162115807) has the molecular formula C6F14IrO6S2-2 and a molecular weight of 690.38 g/mol. Its IUPAC name is bis(1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate);iridium.

Molecular Properties

Compound Namebis(1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate);iridium
PubChem CID162115807
Molecular FormulaC6F14IrO6S2-2
Molecular Weight690.38 g/mol
Exact Mass690.86
IUPAC Namebis(1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate);iridium
SMILESO=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)F.[Ir]
InChIInChI=1S/2C3HF7O3S.Ir/c2*4-1(5,2(6,7)8)3(9,10)14(11,12)13;/h2*(H,11,12,13);/p-2
InChIKeyQSBHMOTUIIVHOJ-UHFFFAOYSA-L
XLogP2.64
TPSA114.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500690.38
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

silver 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate
CID 88642392
bis(1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate);mercury(2+)
CID 22604813
1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate;tetramethylazanium
CID 23287339
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-pentatriacontafluoroheptadecane-1-sulfonate
CID 23533140
sulfanium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate
CID 22023912
sodium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate
CID 23671708
mercury(2+);bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonate)
CID 22604479
bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate);lead(2+)
CID 88695322
sodium 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro(113C)hexane-1-sulfonate
CID 169446237
cesium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate
CID 87123612
tris(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate);iron(3+)
CID 173403862
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane-1,8-disulfonate
CID 58716102

Frequently Asked Questions

What is the IUPAC name of bis(1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate);iridium?
The IUPAC name of bis(1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate);iridium (CID 162115807) is bis(1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate);iridium.
What is the SMILES notation for bis(1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate);iridium?
The canonical SMILES for bis(1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate);iridium is O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)F.[Ir].
What is the InChIKey of bis(1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate);iridium?
The InChIKey is QSBHMOTUIIVHOJ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C3HF7O3S.Ir/c2*4-1(5,2(6,7)8)3(9,10)14(11,12)13;/h2*(H,11,12,13);/p-2.
What are the key properties of bis(1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate);iridium?
bis(1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate);iridium has a molecular weight of 690.38 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate);iridium is sourced from PubChem (CID 162115807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).