dimethylazanium;2,2,3,3,4,4,4-heptafluorobutane-1-sulfonate

C6H10F7NO3S — CID 141492649

IUPACdimethylazanium;2,2,3,3,4,4,4-heptafluorobutane-1-sulfonate
SMILESC[NH2+]C.O=S(=O)([O-])CC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H3F7O3S.C2H7N/c5-2(6,1-15(12,13)14)3(7,8)4(9,10)11;1-3-2/h1H2,(H,12,13,14);3H,1-2H3
InChIKeyWHKWUXOQHBZYOW-UHFFFAOYSA-N
MW309.20 g/mol
LogP0.17
Rot. Bonds3

About dimethylazanium;2,2,3,3,4,4,4-heptafluorobutane-1-sulfonate

dimethylazanium;2,2,3,3,4,4,4-heptafluorobutane-1-sulfonate (PubChem CID 141492649) has the molecular formula C6H10F7NO3S and a molecular weight of 309.20 g/mol. Its IUPAC name is dimethylazanium;2,2,3,3,4,4,4-heptafluorobutane-1-sulfonate.

Molecular Properties

Compound Namedimethylazanium;2,2,3,3,4,4,4-heptafluorobutane-1-sulfonate
PubChem CID141492649
Molecular FormulaC6H10F7NO3S
Molecular Weight309.20 g/mol
Exact Mass309.03
IUPAC Namedimethylazanium;2,2,3,3,4,4,4-heptafluorobutane-1-sulfonate
SMILESC[NH2+]C.O=S(=O)([O-])CC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H3F7O3S.C2H7N/c5-2(6,1-15(12,13)14)3(7,8)4(9,10)11;1-3-2/h1H2,(H,12,13,14);3H,1-2H3
InChIKeyWHKWUXOQHBZYOW-UHFFFAOYSA-N
XLogP0.17
TPSA73.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 50.17
H-Bond Donors ≤ 51
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

3,3,3-trifluoro-N-methylpropane-1-sulfonamide
CID 88571719
Propylsulfonate dimethylammonium
CID 19978841
4,4,4-trifluoro-N-methylbutane-1-sulfonamide
CID 83067812
Dimethylazanium;1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate
CID 122481407
Dimethylazanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 122481999
5,5-Difluoropentane-1-sulfonate;dimethylazanium
CID 134206531
Dimethylazanium;7,7,7-trifluoroheptane-1-sulfonate
CID 134206582
4,4-Difluorobutane-1-sulfonate;dimethylazanium
CID 134206809
Dimethylazanium;5,5,5-trifluoropentane-1-sulfonate
CID 134206896
Dimethylazanium;6,6,6-trifluorohexane-1-sulfonate
CID 134206981
Dimethylazanium;4,4,4-trifluorobutane-1-sulfonate
CID 134207328
6,6-Difluorohexane-1-sulfonate;dimethylazanium
CID 134207371

Frequently Asked Questions

What is the IUPAC name of dimethylazanium;2,2,3,3,4,4,4-heptafluorobutane-1-sulfonate?
The IUPAC name of dimethylazanium;2,2,3,3,4,4,4-heptafluorobutane-1-sulfonate (CID 141492649) is dimethylazanium;2,2,3,3,4,4,4-heptafluorobutane-1-sulfonate.
What is the SMILES notation for dimethylazanium;2,2,3,3,4,4,4-heptafluorobutane-1-sulfonate?
The canonical SMILES for dimethylazanium;2,2,3,3,4,4,4-heptafluorobutane-1-sulfonate is C[NH2+]C.O=S(=O)([O-])CC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of dimethylazanium;2,2,3,3,4,4,4-heptafluorobutane-1-sulfonate?
The InChIKey is WHKWUXOQHBZYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F7O3S.C2H7N/c5-2(6,1-15(12,13)14)3(7,8)4(9,10)11;1-3-2/h1H2,(H,12,13,14);3H,1-2H3.
What are the key properties of dimethylazanium;2,2,3,3,4,4,4-heptafluorobutane-1-sulfonate?
dimethylazanium;2,2,3,3,4,4,4-heptafluorobutane-1-sulfonate has a molecular weight of 309.20 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylazanium;2,2,3,3,4,4,4-heptafluorobutane-1-sulfonate is sourced from PubChem (CID 141492649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).