triethylazanium;trifluoromethanesulfonate

C7H16F3NO3S — CID 14718426

IUPACtriethylazanium;trifluoromethanesulfonate
SMILESCC[NH+](CC)CC.O=S(=O)([O-])C(F)(F)F
InChIInChI=1S/C6H15N.CHF3O3S/c1-4-7(5-2)6-3;2-1(3,4)8(5,6)7/h4-6H2,1-3H3;(H,5,6,7)
InChIKeyTVBIVRGNYNBFCD-UHFFFAOYSA-N
MW251.27 g/mol
LogP-0.02
Rot. Bonds3

About triethylazanium;trifluoromethanesulfonate

triethylazanium;trifluoromethanesulfonate (PubChem CID 14718426) has the molecular formula C7H16F3NO3S and a molecular weight of 251.27 g/mol. Its IUPAC name is triethylazanium;trifluoromethanesulfonate.

Molecular Properties

Compound Nametriethylazanium;trifluoromethanesulfonate
PubChem CID14718426
Molecular FormulaC7H16F3NO3S
Molecular Weight251.27 g/mol
Exact Mass251.08
IUPAC Nametriethylazanium;trifluoromethanesulfonate
SMILESCC[NH+](CC)CC.O=S(=O)([O-])C(F)(F)F
InChIInChI=1S/C6H15N.CHF3O3S/c1-4-7(5-2)6-3;2-1(3,4)8(5,6)7/h4-6H2,1-3H3;(H,5,6,7)
InChIKeyTVBIVRGNYNBFCD-UHFFFAOYSA-N
XLogP-0.02
TPSA61.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Diethylmethylammonium trifluoromethanesulfonate
CID 86620365
Methanesulfonic acid, 1,1,1-trifluoro-, compd. with N-ethylethanamine (1:1)
CID 173774
Triethylammonium Perfluorobutylsulfonate
CID 21470349
Triethylammonium perfluoropentane sulfonate
CID 162396538
Diethylammonium triflate
CID 2783161
Triethylammonium bis(trifluoromethylsulfonyl)imide
CID 11014427
Di(propan-2-yl)azanium;trifluoromethanesulfonate
CID 13718130
Triethylammonium methanesulfonate
CID 21868126
Dimethylethylammonium Trifluoromethanesulfonate
CID 86620366
Tributylammonium triflate
CID 87650505
N,N-diethyl-N-methylammonium bis(trifluoromethanesulfonyl)imide
CID 129856499
lithium;N-propylpropan-1-amine;trifluoromethanesulfonate
CID 139039585

Frequently Asked Questions

What is the IUPAC name of triethylazanium;trifluoromethanesulfonate?
The IUPAC name of triethylazanium;trifluoromethanesulfonate (CID 14718426) is triethylazanium;trifluoromethanesulfonate.
What is the SMILES notation for triethylazanium;trifluoromethanesulfonate?
The canonical SMILES for triethylazanium;trifluoromethanesulfonate is CC[NH+](CC)CC.O=S(=O)([O-])C(F)(F)F.
What is the InChIKey of triethylazanium;trifluoromethanesulfonate?
The InChIKey is TVBIVRGNYNBFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.CHF3O3S/c1-4-7(5-2)6-3;2-1(3,4)8(5,6)7/h4-6H2,1-3H3;(H,5,6,7).
What are the key properties of triethylazanium;trifluoromethanesulfonate?
triethylazanium;trifluoromethanesulfonate has a molecular weight of 251.27 g/mol, XLogP of -0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethylazanium;trifluoromethanesulfonate is sourced from PubChem (CID 14718426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).