tetraethylazanium;2,3,4,10-tetrafluorodecane-1-sulfonate

C18H37F4NO3S — CID 134206650

IUPACtetraethylazanium;2,3,4,10-tetrafluorodecane-1-sulfonate
SMILESCC[N+](CC)(CC)CC.O=S(=O)([O-])CC(F)C(F)C(F)CCCCCCF
InChIInChI=1S/C10H18F4O3S.C8H20N/c11-6-4-2-1-3-5-8(12)10(14)9(13)7-18(15,16)17;1-5-9(6-2,7-3)8-4/h8-10H,1-7H2,(H,15,16,17);5-8H2,1-4H3/q;+1/p-1
InChIKeyVHFMEGAKHKYYCE-UHFFFAOYSA-M
MW423.56 g/mol
LogP4.35
Rot. Bonds14

About tetraethylazanium;2,3,4,10-tetrafluorodecane-1-sulfonate

tetraethylazanium;2,3,4,10-tetrafluorodecane-1-sulfonate (PubChem CID 134206650) has the molecular formula C18H37F4NO3S and a molecular weight of 423.56 g/mol. Its IUPAC name is tetraethylazanium;2,3,4,10-tetrafluorodecane-1-sulfonate.

Molecular Properties

Compound Nametetraethylazanium;2,3,4,10-tetrafluorodecane-1-sulfonate
PubChem CID134206650
Molecular FormulaC18H37F4NO3S
Molecular Weight423.56 g/mol
Exact Mass423.24
IUPAC Nametetraethylazanium;2,3,4,10-tetrafluorodecane-1-sulfonate
SMILESCC[N+](CC)(CC)CC.O=S(=O)([O-])CC(F)C(F)C(F)CCCCCCF
InChIInChI=1S/C10H18F4O3S.C8H20N/c11-6-4-2-1-3-5-8(12)10(14)9(13)7-18(15,16)17;1-5-9(6-2,7-3)8-4/h8-10H,1-7H2,(H,15,16,17);5-8H2,1-4H3/q;+1/p-1
InChIKeyVHFMEGAKHKYYCE-UHFFFAOYSA-M
XLogP4.35
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 54.35
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

2,3,4,5,6,7,8,9,12-nonafluorododecane-1-sulfonate;tetraethylazanium
CID 134206846
tetraethylazanium;2,3,12-trifluorododecane-1-sulfonate
CID 134207029
potassium 2,3,4,5,12-pentafluorododecane-1-sulfonate
CID 134206749
potassium 2,3,4,10-tetrafluorodecane-1-sulfonate
CID 134207060
sodium 2,3,4,5,9-pentafluorononane-1-sulfonate
CID 134206972
2,9-difluorononane-1-sulfonate;tetraethylazanium
CID 134207269
lithium 2,3,10-trifluorodecane-1-sulfonate
CID 134207596
2,3,4,5,6,7,8,8-octafluorooctane-1-sulfonate;tetraethylazanium
CID 134207072
potassium 2,3,4,6-tetrafluorohexane-1-sulfonate
CID 134207453
2,3,4,5,10-pentafluorodecane-1-sulfonic acid
CID 134206413
sodium;hydride;2,3,4,9-tetrafluorononane-1-sulfonic acid
CID 175360951
sodium 2,3,6-trifluorohexane-1-sulfonate
CID 134207601

Frequently Asked Questions

What is the IUPAC name of tetraethylazanium;2,3,4,10-tetrafluorodecane-1-sulfonate?
The IUPAC name of tetraethylazanium;2,3,4,10-tetrafluorodecane-1-sulfonate (CID 134206650) is tetraethylazanium;2,3,4,10-tetrafluorodecane-1-sulfonate.
What is the SMILES notation for tetraethylazanium;2,3,4,10-tetrafluorodecane-1-sulfonate?
The canonical SMILES for tetraethylazanium;2,3,4,10-tetrafluorodecane-1-sulfonate is CC[N+](CC)(CC)CC.O=S(=O)([O-])CC(F)C(F)C(F)CCCCCCF.
What is the InChIKey of tetraethylazanium;2,3,4,10-tetrafluorodecane-1-sulfonate?
The InChIKey is VHFMEGAKHKYYCE-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H18F4O3S.C8H20N/c11-6-4-2-1-3-5-8(12)10(14)9(13)7-18(15,16)17;1-5-9(6-2,7-3)8-4/h8-10H,1-7H2,(H,15,16,17);5-8H2,1-4H3/q;+1/p-1.
What are the key properties of tetraethylazanium;2,3,4,10-tetrafluorodecane-1-sulfonate?
tetraethylazanium;2,3,4,10-tetrafluorodecane-1-sulfonate has a molecular weight of 423.56 g/mol, XLogP of 4.35, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tetraethylazanium;2,3,4,10-tetrafluorodecane-1-sulfonate is sourced from PubChem (CID 134206650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).