methyl(tripropyl)azanium;trifluoromethanesulfonate

C11H24F3NO3S — CID 11771226

IUPACmethyl(tripropyl)azanium;trifluoromethanesulfonate
SMILESCCC[N+](C)(CCC)CCC.O=S(=O)([O-])C(F)(F)F
InChIInChI=1S/C10H24N.CHF3O3S/c1-5-8-11(4,9-6-2)10-7-3;2-1(3,4)8(5,6)7/h5-10H2,1-4H3;(H,5,6,7)/q+1;/p-1
InChIKeyAFDNEAAQDGUENW-UHFFFAOYSA-M
MW307.38 g/mol
LogP2.71
Rot. Bonds6

About methyl(tripropyl)azanium;trifluoromethanesulfonate

methyl(tripropyl)azanium;trifluoromethanesulfonate (PubChem CID 11771226) has the molecular formula C11H24F3NO3S and a molecular weight of 307.38 g/mol. Its IUPAC name is methyl(tripropyl)azanium;trifluoromethanesulfonate.

Molecular Properties

Compound Namemethyl(tripropyl)azanium;trifluoromethanesulfonate
PubChem CID11771226
Molecular FormulaC11H24F3NO3S
Molecular Weight307.38 g/mol
Exact Mass307.14
IUPAC Namemethyl(tripropyl)azanium;trifluoromethanesulfonate
SMILESCCC[N+](C)(CCC)CCC.O=S(=O)([O-])C(F)(F)F
InChIInChI=1S/C10H24N.CHF3O3S/c1-5-8-11(4,9-6-2)10-7-3;2-1(3,4)8(5,6)7/h5-10H2,1-4H3;(H,5,6,7)/q+1;/p-1
InChIKeyAFDNEAAQDGUENW-UHFFFAOYSA-M
XLogP2.71
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.71
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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Frequently Asked Questions

What is the IUPAC name of methyl(tripropyl)azanium;trifluoromethanesulfonate?
The IUPAC name of methyl(tripropyl)azanium;trifluoromethanesulfonate (CID 11771226) is methyl(tripropyl)azanium;trifluoromethanesulfonate.
What is the SMILES notation for methyl(tripropyl)azanium;trifluoromethanesulfonate?
The canonical SMILES for methyl(tripropyl)azanium;trifluoromethanesulfonate is CCC[N+](C)(CCC)CCC.O=S(=O)([O-])C(F)(F)F.
What is the InChIKey of methyl(tripropyl)azanium;trifluoromethanesulfonate?
The InChIKey is AFDNEAAQDGUENW-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H24N.CHF3O3S/c1-5-8-11(4,9-6-2)10-7-3;2-1(3,4)8(5,6)7/h5-10H2,1-4H3;(H,5,6,7)/q+1;/p-1.
What are the key properties of methyl(tripropyl)azanium;trifluoromethanesulfonate?
methyl(tripropyl)azanium;trifluoromethanesulfonate has a molecular weight of 307.38 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(tripropyl)azanium;trifluoromethanesulfonate is sourced from PubChem (CID 11771226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).