trifluoromethanesulfonate;tri(propan-2-yl)azanium

C10H22F3NO3S — CID 161037559

IUPACtrifluoromethanesulfonate;tri(propan-2-yl)azanium
SMILESCC(C)[NH+](C(C)C)C(C)C.O=S(=O)([O-])C(F)(F)F
InChIInChI=1S/C9H21N.CHF3O3S/c1-7(2)10(8(3)4)9(5)6;2-1(3,4)8(5,6)7/h7-9H,1-6H3;(H,5,6,7)
InChIKeyUALLHKQFXYDBFG-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.15
Rot. Bonds3

About trifluoromethanesulfonate;tri(propan-2-yl)azanium

trifluoromethanesulfonate;tri(propan-2-yl)azanium (PubChem CID 161037559) has the molecular formula C10H22F3NO3S and a molecular weight of 293.35 g/mol. Its IUPAC name is trifluoromethanesulfonate;tri(propan-2-yl)azanium.

Molecular Properties

Compound Nametrifluoromethanesulfonate;tri(propan-2-yl)azanium
PubChem CID161037559
Molecular FormulaC10H22F3NO3S
Molecular Weight293.35 g/mol
Exact Mass293.13
IUPAC Nametrifluoromethanesulfonate;tri(propan-2-yl)azanium
SMILESCC(C)[NH+](C(C)C)C(C)C.O=S(=O)([O-])C(F)(F)F
InChIInChI=1S/C9H21N.CHF3O3S/c1-7(2)10(8(3)4)9(5)6;2-1(3,4)8(5,6)7/h7-9H,1-6H3;(H,5,6,7)
InChIKeyUALLHKQFXYDBFG-UHFFFAOYSA-N
XLogP1.15
TPSA61.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.15
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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Frequently Asked Questions

What is the IUPAC name of trifluoromethanesulfonate;tri(propan-2-yl)azanium?
The IUPAC name of trifluoromethanesulfonate;tri(propan-2-yl)azanium (CID 161037559) is trifluoromethanesulfonate;tri(propan-2-yl)azanium.
What is the SMILES notation for trifluoromethanesulfonate;tri(propan-2-yl)azanium?
The canonical SMILES for trifluoromethanesulfonate;tri(propan-2-yl)azanium is CC(C)[NH+](C(C)C)C(C)C.O=S(=O)([O-])C(F)(F)F.
What is the InChIKey of trifluoromethanesulfonate;tri(propan-2-yl)azanium?
The InChIKey is UALLHKQFXYDBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N.CHF3O3S/c1-7(2)10(8(3)4)9(5)6;2-1(3,4)8(5,6)7/h7-9H,1-6H3;(H,5,6,7).
What are the key properties of trifluoromethanesulfonate;tri(propan-2-yl)azanium?
trifluoromethanesulfonate;tri(propan-2-yl)azanium has a molecular weight of 293.35 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethanesulfonate;tri(propan-2-yl)azanium is sourced from PubChem (CID 161037559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).