tetrapropylazanium;trifluoromethanesulfonate

C13H28F3NO3S — CID 3084619

IUPACtetrapropylazanium;trifluoromethanesulfonate
SMILESCCC[N+](CCC)(CCC)CCC.O=S(=O)([O-])C(F)(F)F
InChIInChI=1S/C12H28N.CHF3O3S/c1-5-9-13(10-6-2,11-7-3)12-8-4;2-1(3,4)8(5,6)7/h5-12H2,1-4H3;(H,5,6,7)/q+1;/p-1
InChIKeyIGVWFPZXBUTUCG-UHFFFAOYSA-M
MW335.43 g/mol
LogP3.49
Rot. Bonds8

About tetrapropylazanium;trifluoromethanesulfonate

tetrapropylazanium;trifluoromethanesulfonate (PubChem CID 3084619) has the molecular formula C13H28F3NO3S and a molecular weight of 335.43 g/mol. Its IUPAC name is tetrapropylazanium;trifluoromethanesulfonate.

Molecular Properties

Compound Nametetrapropylazanium;trifluoromethanesulfonate
PubChem CID3084619
Molecular FormulaC13H28F3NO3S
Molecular Weight335.43 g/mol
Exact Mass335.17
IUPAC Nametetrapropylazanium;trifluoromethanesulfonate
SMILESCCC[N+](CCC)(CCC)CCC.O=S(=O)([O-])C(F)(F)F
InChIInChI=1S/C12H28N.CHF3O3S/c1-5-9-13(10-6-2,11-7-3)12-8-4;2-1(3,4)8(5,6)7/h5-12H2,1-4H3;(H,5,6,7)/q+1;/p-1
InChIKeyIGVWFPZXBUTUCG-UHFFFAOYSA-M
XLogP3.49
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

Tetrabutylammonium Trifluoromethanesulfonate
CID 2733306
1-Methyl-1-propylpyrrolidinium trifluoromethanesulfonate
CID 60196396
1-Butyl-1-methylpyrrolidinium triflate
CID 12195864
Tetraethylammonium trifluoromethanesulphonate
CID 2776566
1-Ethyl-1-methylpyrrolidinium trifluoromethanesulfonate
CID 60196393
N,N-Dibutyl-N-methylbutan-1-aminium nonafluorobutane-1-sulfonate
CID 21079910
Methanesulfonic acid, 1,1,1-trifluoro-, compd. with N,N-diethylethanamine (1:1)
CID 71565
Ethyldimethylpropylammonium bis(trifluoromethylsulfonyl)imide
CID 71310880
N,N-diethyl-N-methyl-N-(n-propyl)ammonium bis(trifluoromethylsulfonyl) amide
CID 134716373
n-Heptyl triethyl ammonium trifluoromethane sulfonate
CID 129724600
Tetrabutylammonium trifluoromethanesulfonate, >=99.0% (T)
CID 617967
Methyl-tris(2-methylpropyl)azanium;trifluoromethanesulfonate
CID 11187183

Frequently Asked Questions

What is the IUPAC name of tetrapropylazanium;trifluoromethanesulfonate?
The IUPAC name of tetrapropylazanium;trifluoromethanesulfonate (CID 3084619) is tetrapropylazanium;trifluoromethanesulfonate.
What is the SMILES notation for tetrapropylazanium;trifluoromethanesulfonate?
The canonical SMILES for tetrapropylazanium;trifluoromethanesulfonate is CCC[N+](CCC)(CCC)CCC.O=S(=O)([O-])C(F)(F)F.
What is the InChIKey of tetrapropylazanium;trifluoromethanesulfonate?
The InChIKey is IGVWFPZXBUTUCG-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H28N.CHF3O3S/c1-5-9-13(10-6-2,11-7-3)12-8-4;2-1(3,4)8(5,6)7/h5-12H2,1-4H3;(H,5,6,7)/q+1;/p-1.
What are the key properties of tetrapropylazanium;trifluoromethanesulfonate?
tetrapropylazanium;trifluoromethanesulfonate has a molecular weight of 335.43 g/mol, XLogP of 3.49, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tetrapropylazanium;trifluoromethanesulfonate is sourced from PubChem (CID 3084619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).