triethylazanium;trifluoromethyl sulfate

C7H16F3NO4S — CID 139776220

IUPACtriethylazanium;trifluoromethyl sulfate
SMILESCC[NH+](CC)CC.O=S(=O)([O-])OC(F)(F)F
InChIInChI=1S/C6H15N.CHF3O4S/c1-4-7(5-2)6-3;2-1(3,4)8-9(5,6)7/h4-6H2,1-3H3;(H,5,6,7)
InChIKeyWNGREYLHSYYTBF-UHFFFAOYSA-N
MW267.27 g/mol
LogP-0.09
Rot. Bonds4

About triethylazanium;trifluoromethyl sulfate

triethylazanium;trifluoromethyl sulfate (PubChem CID 139776220) has the molecular formula C7H16F3NO4S and a molecular weight of 267.27 g/mol. Its IUPAC name is triethylazanium;trifluoromethyl sulfate.

Molecular Properties

Compound Nametriethylazanium;trifluoromethyl sulfate
PubChem CID139776220
Molecular FormulaC7H16F3NO4S
Molecular Weight267.27 g/mol
Exact Mass267.08
IUPAC Nametriethylazanium;trifluoromethyl sulfate
SMILESCC[NH+](CC)CC.O=S(=O)([O-])OC(F)(F)F
InChIInChI=1S/C6H15N.CHF3O4S/c1-4-7(5-2)6-3;2-1(3,4)8-9(5,6)7/h4-6H2,1-3H3;(H,5,6,7)
InChIKeyWNGREYLHSYYTBF-UHFFFAOYSA-N
XLogP-0.09
TPSA70.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triethylazanium;trifluoromethyl sulfate?
The IUPAC name of triethylazanium;trifluoromethyl sulfate (CID 139776220) is triethylazanium;trifluoromethyl sulfate.
What is the SMILES notation for triethylazanium;trifluoromethyl sulfate?
The canonical SMILES for triethylazanium;trifluoromethyl sulfate is CC[NH+](CC)CC.O=S(=O)([O-])OC(F)(F)F.
What is the InChIKey of triethylazanium;trifluoromethyl sulfate?
The InChIKey is WNGREYLHSYYTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.CHF3O4S/c1-4-7(5-2)6-3;2-1(3,4)8-9(5,6)7/h4-6H2,1-3H3;(H,5,6,7).
What are the key properties of triethylazanium;trifluoromethyl sulfate?
triethylazanium;trifluoromethyl sulfate has a molecular weight of 267.27 g/mol, XLogP of -0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triethylazanium;trifluoromethyl sulfate is sourced from PubChem (CID 139776220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).