2,9-difluorononane-1-sulfonate;tetraethylazanium

C17H37F2NO3S — CID 134207269

IUPAC2,9-difluorononane-1-sulfonate;tetraethylazanium
SMILESCC[N+](CC)(CC)CC.O=S(=O)([O-])CC(F)CCCCCCCF
InChIInChI=1S/C9H18F2O3S.C8H20N/c10-7-5-3-1-2-4-6-9(11)8-15(12,13)14;1-5-9(6-2,7-3)8-4/h9H,1-8H2,(H,12,13,14);5-8H2,1-4H3/q;+1/p-1
InChIKeyYUNWWAVRQLUUHI-UHFFFAOYSA-M
MW373.55 g/mol
LogP4.06
Rot. Bonds13

About 2,9-difluorononane-1-sulfonate;tetraethylazanium

2,9-difluorononane-1-sulfonate;tetraethylazanium (PubChem CID 134207269) has the molecular formula C17H37F2NO3S and a molecular weight of 373.55 g/mol. Its IUPAC name is 2,9-difluorononane-1-sulfonate;tetraethylazanium.

Molecular Properties

Compound Name2,9-difluorononane-1-sulfonate;tetraethylazanium
PubChem CID134207269
Molecular FormulaC17H37F2NO3S
Molecular Weight373.55 g/mol
Exact Mass373.25
IUPAC Name2,9-difluorononane-1-sulfonate;tetraethylazanium
SMILESCC[N+](CC)(CC)CC.O=S(=O)([O-])CC(F)CCCCCCCF
InChIInChI=1S/C9H18F2O3S.C8H20N/c10-7-5-3-1-2-4-6-9(11)8-15(12,13)14;1-5-9(6-2,7-3)8-4/h9H,1-8H2,(H,12,13,14);5-8H2,1-4H3/q;+1/p-1
InChIKeyYUNWWAVRQLUUHI-UHFFFAOYSA-M
XLogP4.06
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.55
LogP ≤ 54.06
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;2,3,12-trifluorododecane-1-sulfonate
CID 134207029
tetraethylazanium;2,3,4,10-tetrafluorodecane-1-sulfonate
CID 134206650
2,3,4,5,6,7,8,9,12-nonafluorododecane-1-sulfonate;tetraethylazanium
CID 134206846
lithium 2,3,10-trifluorodecane-1-sulfonate
CID 134207596
1-fluorotridecane-1-sulfonate;tetraethylazanium
CID 175169850
potassium 2,3,4,5,12-pentafluorododecane-1-sulfonate
CID 134206749
sodium 2,3,4,5,9-pentafluorononane-1-sulfonate
CID 134206972
potassium 2,3,4,10-tetrafluorodecane-1-sulfonate
CID 134207060
1,7-difluorononane
CID 168864708
2,3,4,5,6,7,8,8-octafluorooctane-1-sulfonate;tetraethylazanium
CID 134207072
dodecane-1-sulfonate;tetraethylazanium
CID 88607705
tetraethylazanium;1,8,8,8-tetrafluorooctane-1-sulfonate
CID 141492364

Frequently Asked Questions

What is the IUPAC name of 2,9-difluorononane-1-sulfonate;tetraethylazanium?
The IUPAC name of 2,9-difluorononane-1-sulfonate;tetraethylazanium (CID 134207269) is 2,9-difluorononane-1-sulfonate;tetraethylazanium.
What is the SMILES notation for 2,9-difluorononane-1-sulfonate;tetraethylazanium?
The canonical SMILES for 2,9-difluorononane-1-sulfonate;tetraethylazanium is CC[N+](CC)(CC)CC.O=S(=O)([O-])CC(F)CCCCCCCF.
What is the InChIKey of 2,9-difluorononane-1-sulfonate;tetraethylazanium?
The InChIKey is YUNWWAVRQLUUHI-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H18F2O3S.C8H20N/c10-7-5-3-1-2-4-6-9(11)8-15(12,13)14;1-5-9(6-2,7-3)8-4/h9H,1-8H2,(H,12,13,14);5-8H2,1-4H3/q;+1/p-1.
What are the key properties of 2,9-difluorononane-1-sulfonate;tetraethylazanium?
2,9-difluorononane-1-sulfonate;tetraethylazanium has a molecular weight of 373.55 g/mol, XLogP of 4.06, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-difluorononane-1-sulfonate;tetraethylazanium is sourced from PubChem (CID 134207269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).