tetraethylazanium;1,10,10,10-tetrafluorodecane-1-sulfonate

C18H37F4NO3S — CID 141491935

IUPACtetraethylazanium;1,10,10,10-tetrafluorodecane-1-sulfonate
SMILESCC[N+](CC)(CC)CC.O=S(=O)([O-])C(F)CCCCCCCCC(F)(F)F
InChIInChI=1S/C10H18F4O3S.C8H20N/c11-9(18(15,16)17)7-5-3-1-2-4-6-8-10(12,13)14;1-5-9(6-2,7-3)8-4/h9H,1-8H2,(H,15,16,17);5-8H2,1-4H3/q;+1/p-1
InChIKeyPEAJNLPIKMSQBG-UHFFFAOYSA-M
MW423.56 g/mol
LogP5.39
Rot. Bonds13

About tetraethylazanium;1,10,10,10-tetrafluorodecane-1-sulfonate

tetraethylazanium;1,10,10,10-tetrafluorodecane-1-sulfonate (PubChem CID 141491935) has the molecular formula C18H37F4NO3S and a molecular weight of 423.56 g/mol. Its IUPAC name is tetraethylazanium;1,10,10,10-tetrafluorodecane-1-sulfonate.

Molecular Properties

Compound Nametetraethylazanium;1,10,10,10-tetrafluorodecane-1-sulfonate
PubChem CID141491935
Molecular FormulaC18H37F4NO3S
Molecular Weight423.56 g/mol
Exact Mass423.24
IUPAC Nametetraethylazanium;1,10,10,10-tetrafluorodecane-1-sulfonate
SMILESCC[N+](CC)(CC)CC.O=S(=O)([O-])C(F)CCCCCCCCC(F)(F)F
InChIInChI=1S/C10H18F4O3S.C8H20N/c11-9(18(15,16)17)7-5-3-1-2-4-6-8-10(12,13)14;1-5-9(6-2,7-3)8-4/h9H,1-8H2,(H,15,16,17);5-8H2,1-4H3/q;+1/p-1
InChIKeyPEAJNLPIKMSQBG-UHFFFAOYSA-M
XLogP5.39
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.56
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_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

tetraethylazanium;1,8,8,8-tetrafluorooctane-1-sulfonate
CID 141492364
tetraethylazanium;1,11,11,11-tetrafluoroundecane-1-sulfonate
CID 141492644
dimethylazanium;1,8,8,8-tetrafluorooctane-1-sulfonate
CID 141492118
dimethylazanium;1,10,10,10-tetrafluorodecane-1-sulfonate
CID 141492373
potassium 1,8,8,8-tetrafluorooctane-1-sulfonate
CID 141491902
1-fluorotridecane-1-sulfonate;tetraethylazanium
CID 175169850
dimethylazanium;1,5,5,5-tetrafluoropentane-1-sulfonate
CID 141492076
azanium 1,5,5,5-tetrafluoropentane-1-sulfonate
CID 141492353
1,1,2,2,8,8,8-heptafluorooctane-1-sulfonate;tetraethylazanium
CID 141492168
1,1,2,2,3,3,4,4,5,5,6,11,11,11-tetradecafluoroundecane-1-sulfonate;tetraethylazanium
CID 141492397
1,7,7,7-tetrafluoroheptane-1-sulfonic acid
CID 141491980
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,12,12,12-octadecafluorododecane-1-sulfonate;tetraethylazanium
CID 141492366

Frequently Asked Questions

What is the IUPAC name of tetraethylazanium;1,10,10,10-tetrafluorodecane-1-sulfonate?
The IUPAC name of tetraethylazanium;1,10,10,10-tetrafluorodecane-1-sulfonate (CID 141491935) is tetraethylazanium;1,10,10,10-tetrafluorodecane-1-sulfonate.
What is the SMILES notation for tetraethylazanium;1,10,10,10-tetrafluorodecane-1-sulfonate?
The canonical SMILES for tetraethylazanium;1,10,10,10-tetrafluorodecane-1-sulfonate is CC[N+](CC)(CC)CC.O=S(=O)([O-])C(F)CCCCCCCCC(F)(F)F.
What is the InChIKey of tetraethylazanium;1,10,10,10-tetrafluorodecane-1-sulfonate?
The InChIKey is PEAJNLPIKMSQBG-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H18F4O3S.C8H20N/c11-9(18(15,16)17)7-5-3-1-2-4-6-8-10(12,13)14;1-5-9(6-2,7-3)8-4/h9H,1-8H2,(H,15,16,17);5-8H2,1-4H3/q;+1/p-1.
What are the key properties of tetraethylazanium;1,10,10,10-tetrafluorodecane-1-sulfonate?
tetraethylazanium;1,10,10,10-tetrafluorodecane-1-sulfonate has a molecular weight of 423.56 g/mol, XLogP of 5.39, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tetraethylazanium;1,10,10,10-tetrafluorodecane-1-sulfonate is sourced from PubChem (CID 141491935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).