dimethylazanium;1,1,2,4,4,4-hexafluorobutane-1-sulfonate

C6H11F6NO3S — CID 141491827

IUPACdimethylazanium;1,1,2,4,4,4-hexafluorobutane-1-sulfonate
SMILESC[NH2+]C.O=S(=O)([O-])C(F)(F)C(F)CC(F)(F)F
InChIInChI=1S/C4H4F6O3S.C2H7N/c5-2(1-3(6,7)8)4(9,10)14(11,12)13;1-3-2/h2H,1H2,(H,11,12,13);3H,1-2H3
InChIKeyFHFMZDKQMYPHNV-UHFFFAOYSA-N
MW291.21 g/mol
LogP0.22
Rot. Bonds3

About dimethylazanium;1,1,2,4,4,4-hexafluorobutane-1-sulfonate

dimethylazanium;1,1,2,4,4,4-hexafluorobutane-1-sulfonate (PubChem CID 141491827) has the molecular formula C6H11F6NO3S and a molecular weight of 291.21 g/mol. Its IUPAC name is dimethylazanium;1,1,2,4,4,4-hexafluorobutane-1-sulfonate.

Molecular Properties

Compound Namedimethylazanium;1,1,2,4,4,4-hexafluorobutane-1-sulfonate
PubChem CID141491827
Molecular FormulaC6H11F6NO3S
Molecular Weight291.21 g/mol
Exact Mass291.04
IUPAC Namedimethylazanium;1,1,2,4,4,4-hexafluorobutane-1-sulfonate
SMILESC[NH2+]C.O=S(=O)([O-])C(F)(F)C(F)CC(F)(F)F
InChIInChI=1S/C4H4F6O3S.C2H7N/c5-2(1-3(6,7)8)4(9,10)14(11,12)13;1-3-2/h2H,1H2,(H,11,12,13);3H,1-2H3
InChIKeyFHFMZDKQMYPHNV-UHFFFAOYSA-N
XLogP0.22
TPSA73.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.21
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1,3,3-tetrafluoro-N-methylbutane-1-sulfonamide
CID 57616834
1,1,3,3-tetrafluoro-N,N-dimethylpropane-1-sulfonamide
CID 58435975
1,1,3,3-tetrafluoro-N-methylpropane-1-sulfonamide
CID 58436063
1,1,2,2,3,3-hexafluoro-N-methylbutane-1-sulfonamide
CID 89367524
1,1,2,2-tetrafluoro-N-methylpropane-1-sulfonamide
CID 89802953
Dimethylazanium;1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane-1-sulfonate
CID 122481235
Dimethylazanium;1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonate
CID 122481286
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
4,4-Difluorobutane-1-sulfonate;dimethylazanium
CID 134206809
Dimethylazanium;5,5,5-trifluoropentane-1-sulfonate
CID 134206896

Frequently Asked Questions

What is the IUPAC name of dimethylazanium;1,1,2,4,4,4-hexafluorobutane-1-sulfonate?
The IUPAC name of dimethylazanium;1,1,2,4,4,4-hexafluorobutane-1-sulfonate (CID 141491827) is dimethylazanium;1,1,2,4,4,4-hexafluorobutane-1-sulfonate.
What is the SMILES notation for dimethylazanium;1,1,2,4,4,4-hexafluorobutane-1-sulfonate?
The canonical SMILES for dimethylazanium;1,1,2,4,4,4-hexafluorobutane-1-sulfonate is C[NH2+]C.O=S(=O)([O-])C(F)(F)C(F)CC(F)(F)F.
What is the InChIKey of dimethylazanium;1,1,2,4,4,4-hexafluorobutane-1-sulfonate?
The InChIKey is FHFMZDKQMYPHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F6O3S.C2H7N/c5-2(1-3(6,7)8)4(9,10)14(11,12)13;1-3-2/h2H,1H2,(H,11,12,13);3H,1-2H3.
What are the key properties of dimethylazanium;1,1,2,4,4,4-hexafluorobutane-1-sulfonate?
dimethylazanium;1,1,2,4,4,4-hexafluorobutane-1-sulfonate has a molecular weight of 291.21 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylazanium;1,1,2,4,4,4-hexafluorobutane-1-sulfonate is sourced from PubChem (CID 141491827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).