silver 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate

C3AgF7O3S — CID 88642392

IUPACsilver 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate
SMILESO=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)F.[Ag+]
InChIInChI=1S/C3HF7O3S.Ag/c4-1(5,2(6,7)8)3(9,10)14(11,12)13;/h(H,11,12,13);/q;+1/p-1
InChIKeyDIBVNMQVCHOPTN-UHFFFAOYSA-M
MW356.95 g/mol
LogP1.32
Rot. Bonds2

About silver 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate

silver 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate (PubChem CID 88642392) has the molecular formula C3AgF7O3S and a molecular weight of 356.95 g/mol. Its IUPAC name is silver 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate.

Molecular Properties

Compound Namesilver 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate
PubChem CID88642392
Molecular FormulaC3AgF7O3S
Molecular Weight356.95 g/mol
Exact Mass355.85
IUPAC Namesilver 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate
SMILESO=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)F.[Ag+]
InChIInChI=1S/C3HF7O3S.Ag/c4-1(5,2(6,7)8)3(9,10)14(11,12)13;/h(H,11,12,13);/q;+1/p-1
InChIKeyDIBVNMQVCHOPTN-UHFFFAOYSA-M
XLogP1.32
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.95
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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
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
sodium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate
CID 23671708
sulfanium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate
CID 22023912
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
cesium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate
CID 87123612
sodium 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro(113C)hexane-1-sulfonate
CID 169446237
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 silver 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate?
The IUPAC name of silver 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate (CID 88642392) is silver 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate.
What is the SMILES notation for silver 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate?
The canonical SMILES for silver 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate is O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)F.[Ag+].
What is the InChIKey of silver 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate?
The InChIKey is DIBVNMQVCHOPTN-UHFFFAOYSA-M. The full InChI is InChI=1S/C3HF7O3S.Ag/c4-1(5,2(6,7)8)3(9,10)14(11,12)13;/h(H,11,12,13);/q;+1/p-1.
What are the key properties of silver 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate?
silver 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate has a molecular weight of 356.95 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for silver 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate is sourced from PubChem (CID 88642392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).