dimethylazanium;1,5,5,5-tetrafluoropentane-1-sulfonate

C7H15F4NO3S — CID 141492076

IUPACdimethylazanium;1,5,5,5-tetrafluoropentane-1-sulfonate
SMILESC[NH2+]C.O=S(=O)([O-])C(F)CCCC(F)(F)F
InChIInChI=1S/C5H8F4O3S.C2H7N/c6-4(13(10,11)12)2-1-3-5(7,8)9;1-3-2/h4H,1-3H2,(H,10,11,12);3H,1-2H3
InChIKeyCGEJCWSNMWVTMD-UHFFFAOYSA-N
MW269.26 g/mol
LogP0.37
Rot. Bonds4

About dimethylazanium;1,5,5,5-tetrafluoropentane-1-sulfonate

dimethylazanium;1,5,5,5-tetrafluoropentane-1-sulfonate (PubChem CID 141492076) has the molecular formula C7H15F4NO3S and a molecular weight of 269.26 g/mol. Its IUPAC name is dimethylazanium;1,5,5,5-tetrafluoropentane-1-sulfonate.

Molecular Properties

Compound Namedimethylazanium;1,5,5,5-tetrafluoropentane-1-sulfonate
PubChem CID141492076
Molecular FormulaC7H15F4NO3S
Molecular Weight269.26 g/mol
Exact Mass269.07
IUPAC Namedimethylazanium;1,5,5,5-tetrafluoropentane-1-sulfonate
SMILESC[NH2+]C.O=S(=O)([O-])C(F)CCCC(F)(F)F
InChIInChI=1S/C5H8F4O3S.C2H7N/c6-4(13(10,11)12)2-1-3-5(7,8)9;1-3-2/h4H,1-3H2,(H,10,11,12);3H,1-2H3
InChIKeyCGEJCWSNMWVTMD-UHFFFAOYSA-N
XLogP0.37
TPSA73.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 50.37
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

dimethylazanium;1,8,8,8-tetrafluorooctane-1-sulfonate
CID 141492118
dimethylazanium;1,10,10,10-tetrafluorodecane-1-sulfonate
CID 141492373
azanium 1,5,5,5-tetrafluoropentane-1-sulfonate
CID 141492353
potassium 1,8,8,8-tetrafluorooctane-1-sulfonate
CID 141491902
tetraethylazanium;1,10,10,10-tetrafluorodecane-1-sulfonate
CID 141491935
tetraethylazanium;1,8,8,8-tetrafluorooctane-1-sulfonate
CID 141492364
tetraethylazanium;1,11,11,11-tetrafluoroundecane-1-sulfonate
CID 141492644
1,7,7,7-tetrafluoroheptane-1-sulfonic acid
CID 141491980
cesium 1-fluorobutane-1-sulfonate
CID 141058124
dimethylazanium;1,1,2,2,3,3,10,10,10-nonafluorodecane-1-sulfonate
CID 141492551
dimethylazanium;1,1,2,2,3,3,4,4,5,5,10,10,10-tridecafluorodecane-1-sulfonate
CID 141491998
lithium 1,1,2,12,12,12-hexafluorododecane-1-sulfonate
CID 141492430

Frequently Asked Questions

What is the IUPAC name of dimethylazanium;1,5,5,5-tetrafluoropentane-1-sulfonate?
The IUPAC name of dimethylazanium;1,5,5,5-tetrafluoropentane-1-sulfonate (CID 141492076) is dimethylazanium;1,5,5,5-tetrafluoropentane-1-sulfonate.
What is the SMILES notation for dimethylazanium;1,5,5,5-tetrafluoropentane-1-sulfonate?
The canonical SMILES for dimethylazanium;1,5,5,5-tetrafluoropentane-1-sulfonate is C[NH2+]C.O=S(=O)([O-])C(F)CCCC(F)(F)F.
What is the InChIKey of dimethylazanium;1,5,5,5-tetrafluoropentane-1-sulfonate?
The InChIKey is CGEJCWSNMWVTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F4O3S.C2H7N/c6-4(13(10,11)12)2-1-3-5(7,8)9;1-3-2/h4H,1-3H2,(H,10,11,12);3H,1-2H3.
What are the key properties of dimethylazanium;1,5,5,5-tetrafluoropentane-1-sulfonate?
dimethylazanium;1,5,5,5-tetrafluoropentane-1-sulfonate has a molecular weight of 269.26 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylazanium;1,5,5,5-tetrafluoropentane-1-sulfonate is sourced from PubChem (CID 141492076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).