dimethylazanium;1,8,8,8-tetrafluorooctane-1-sulfonate

C10H21F4NO3S — CID 141492118

IUPACdimethylazanium;1,8,8,8-tetrafluorooctane-1-sulfonate
SMILESC[NH2+]C.O=S(=O)([O-])C(F)CCCCCCC(F)(F)F
InChIInChI=1S/C8H14F4O3S.C2H7N/c9-7(16(13,14)15)5-3-1-2-4-6-8(10,11)12;1-3-2/h7H,1-6H2,(H,13,14,15);3H,1-2H3
InChIKeyQYYLEUOODGCWET-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.54
Rot. Bonds7

About dimethylazanium;1,8,8,8-tetrafluorooctane-1-sulfonate

dimethylazanium;1,8,8,8-tetrafluorooctane-1-sulfonate (PubChem CID 141492118) has the molecular formula C10H21F4NO3S and a molecular weight of 311.34 g/mol. Its IUPAC name is dimethylazanium;1,8,8,8-tetrafluorooctane-1-sulfonate.

Molecular Properties

Compound Namedimethylazanium;1,8,8,8-tetrafluorooctane-1-sulfonate
PubChem CID141492118
Molecular FormulaC10H21F4NO3S
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Namedimethylazanium;1,8,8,8-tetrafluorooctane-1-sulfonate
SMILESC[NH2+]C.O=S(=O)([O-])C(F)CCCCCCC(F)(F)F
InChIInChI=1S/C8H14F4O3S.C2H7N/c9-7(16(13,14)15)5-3-1-2-4-6-8(10,11)12;1-3-2/h7H,1-6H2,(H,13,14,15);3H,1-2H3
InChIKeyQYYLEUOODGCWET-UHFFFAOYSA-N
XLogP1.54
TPSA73.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dimethylazanium;1,10,10,10-tetrafluorodecane-1-sulfonate
CID 141492373
dimethylazanium;1,5,5,5-tetrafluoropentane-1-sulfonate
CID 141492076
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
azanium 1,5,5,5-tetrafluoropentane-1-sulfonate
CID 141492353
1,7,7,7-tetrafluoroheptane-1-sulfonic acid
CID 141491980
lithium 1,1,2,12,12,12-hexafluorododecane-1-sulfonate
CID 141492430
potassium 1,1,2,9,9,9-hexafluorononane-1-sulfonate
CID 141492670
lithium 1,1,2,2,3,9,9,9-octafluorononane-1-sulfonate
CID 141492125
dimethylazanium;1,1,2,2,3,3,10,10,10-nonafluorodecane-1-sulfonate
CID 141492551

Frequently Asked Questions

What is the IUPAC name of dimethylazanium;1,8,8,8-tetrafluorooctane-1-sulfonate?
The IUPAC name of dimethylazanium;1,8,8,8-tetrafluorooctane-1-sulfonate (CID 141492118) is dimethylazanium;1,8,8,8-tetrafluorooctane-1-sulfonate.
What is the SMILES notation for dimethylazanium;1,8,8,8-tetrafluorooctane-1-sulfonate?
The canonical SMILES for dimethylazanium;1,8,8,8-tetrafluorooctane-1-sulfonate is C[NH2+]C.O=S(=O)([O-])C(F)CCCCCCC(F)(F)F.
What is the InChIKey of dimethylazanium;1,8,8,8-tetrafluorooctane-1-sulfonate?
The InChIKey is QYYLEUOODGCWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F4O3S.C2H7N/c9-7(16(13,14)15)5-3-1-2-4-6-8(10,11)12;1-3-2/h7H,1-6H2,(H,13,14,15);3H,1-2H3.
What are the key properties of dimethylazanium;1,8,8,8-tetrafluorooctane-1-sulfonate?
dimethylazanium;1,8,8,8-tetrafluorooctane-1-sulfonate has a molecular weight of 311.34 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylazanium;1,8,8,8-tetrafluorooctane-1-sulfonate is sourced from PubChem (CID 141492118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).