azanium 1,5,5,5-tetrafluoropentane-1-sulfonate

C5H11F4NO3S — CID 141492353

IUPACazanium 1,5,5,5-tetrafluoropentane-1-sulfonate
SMILESO=S(=O)([O-])C(F)CCCC(F)(F)F.[NH4+]
InChIInChI=1S/C5H8F4O3S.H3N/c6-4(13(10,11)12)2-1-3-5(7,8)9;/h4H,1-3H2,(H,10,11,12);1H3
InChIKeyRHTFKGCLPBULSU-UHFFFAOYSA-N
MW241.21 g/mol
LogP1.94
Rot. Bonds4

About azanium 1,5,5,5-tetrafluoropentane-1-sulfonate

azanium 1,5,5,5-tetrafluoropentane-1-sulfonate (PubChem CID 141492353) has the molecular formula C5H11F4NO3S and a molecular weight of 241.21 g/mol. Its IUPAC name is azanium 1,5,5,5-tetrafluoropentane-1-sulfonate.

Molecular Properties

Compound Nameazanium 1,5,5,5-tetrafluoropentane-1-sulfonate
PubChem CID141492353
Molecular FormulaC5H11F4NO3S
Molecular Weight241.21 g/mol
Exact Mass241.04
IUPAC Nameazanium 1,5,5,5-tetrafluoropentane-1-sulfonate
SMILESO=S(=O)([O-])C(F)CCCC(F)(F)F.[NH4+]
InChIInChI=1S/C5H8F4O3S.H3N/c6-4(13(10,11)12)2-1-3-5(7,8)9;/h4H,1-3H2,(H,10,11,12);1H3
InChIKeyRHTFKGCLPBULSU-UHFFFAOYSA-N
XLogP1.94
TPSA93.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 51.94
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;1,5,5,5-tetrafluoropentane-1-sulfonate
CID 141492076
potassium 1,8,8,8-tetrafluorooctane-1-sulfonate
CID 141491902
dimethylazanium;1,8,8,8-tetrafluorooctane-1-sulfonate
CID 141492118
dimethylazanium;1,10,10,10-tetrafluorodecane-1-sulfonate
CID 141492373
tetraethylazanium;1,8,8,8-tetrafluorooctane-1-sulfonate
CID 141492364
tetraethylazanium;1,10,10,10-tetrafluorodecane-1-sulfonate
CID 141491935
tetraethylazanium;1,11,11,11-tetrafluoroundecane-1-sulfonate
CID 141492644
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
cesium 1-fluorobutane-1-sulfonate
CID 141058124

Frequently Asked Questions

What is the IUPAC name of azanium 1,5,5,5-tetrafluoropentane-1-sulfonate?
The IUPAC name of azanium 1,5,5,5-tetrafluoropentane-1-sulfonate (CID 141492353) is azanium 1,5,5,5-tetrafluoropentane-1-sulfonate.
What is the SMILES notation for azanium 1,5,5,5-tetrafluoropentane-1-sulfonate?
The canonical SMILES for azanium 1,5,5,5-tetrafluoropentane-1-sulfonate is O=S(=O)([O-])C(F)CCCC(F)(F)F.[NH4+].
What is the InChIKey of azanium 1,5,5,5-tetrafluoropentane-1-sulfonate?
The InChIKey is RHTFKGCLPBULSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F4O3S.H3N/c6-4(13(10,11)12)2-1-3-5(7,8)9;/h4H,1-3H2,(H,10,11,12);1H3.
What are the key properties of azanium 1,5,5,5-tetrafluoropentane-1-sulfonate?
azanium 1,5,5,5-tetrafluoropentane-1-sulfonate has a molecular weight of 241.21 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azanium 1,5,5,5-tetrafluoropentane-1-sulfonate is sourced from PubChem (CID 141492353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).