1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate;tetramethylazanium

C7H12F7NO3S — CID 23287339

IUPAC1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate;tetramethylazanium
SMILESC[N+](C)(C)C.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H12N.C3HF7O3S/c1-5(2,3)4;4-1(5,2(6,7)8)3(9,10)14(11,12)13/h1-4H3;(H,11,12,13)/q+1;/p-1
InChIKeyAGFDHYKIJAGRIC-UHFFFAOYSA-M
MW323.23 g/mol
LogP1.64
Rot. Bonds2

About 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate;tetramethylazanium

1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate;tetramethylazanium (PubChem CID 23287339) has the molecular formula C7H12F7NO3S and a molecular weight of 323.23 g/mol. Its IUPAC name is 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate;tetramethylazanium.

Molecular Properties

Compound Name1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate;tetramethylazanium
PubChem CID23287339
Molecular FormulaC7H12F7NO3S
Molecular Weight323.23 g/mol
Exact Mass323.04
IUPAC Name1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate;tetramethylazanium
SMILESC[N+](C)(C)C.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H12N.C3HF7O3S/c1-5(2,3)4;4-1(5,2(6,7)8)3(9,10)14(11,12)13/h1-4H3;(H,11,12,13)/q+1;/p-1
InChIKeyAGFDHYKIJAGRIC-UHFFFAOYSA-M
XLogP1.64
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', '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
bis(1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate);iridium
CID 162115807
1,1,2,2,2-pentafluoroethanesulfonate;tetramethylazanium
CID 139914355
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
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

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate;tetramethylazanium?
The IUPAC name of 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate;tetramethylazanium (CID 23287339) is 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate;tetramethylazanium.
What is the SMILES notation for 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate;tetramethylazanium?
The canonical SMILES for 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate;tetramethylazanium is C[N+](C)(C)C.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate;tetramethylazanium?
The InChIKey is AGFDHYKIJAGRIC-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H12N.C3HF7O3S/c1-5(2,3)4;4-1(5,2(6,7)8)3(9,10)14(11,12)13/h1-4H3;(H,11,12,13)/q+1;/p-1.
What are the key properties of 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate;tetramethylazanium?
1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate;tetramethylazanium has a molecular weight of 323.23 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate;tetramethylazanium is sourced from PubChem (CID 23287339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).