triethylphosphanium;trifluoromethanesulfonate

C7H16F3O3PS — CID 158854651

IUPACtriethylphosphanium;trifluoromethanesulfonate
SMILESCC[PH+](CC)CC.O=S(=O)([O-])C(F)(F)F
InChIInChI=1S/C6H15P.CHF3O3S/c1-4-7(5-2)6-3;2-1(3,4)8(5,6)7/h4-6H2,1-3H3;(H,5,6,7)
InChIKeyIZWVRRUPWWPJIT-UHFFFAOYSA-N
MW268.24 g/mol
LogP2.31
Rot. Bonds3

About triethylphosphanium;trifluoromethanesulfonate

triethylphosphanium;trifluoromethanesulfonate (PubChem CID 158854651) has the molecular formula C7H16F3O3PS and a molecular weight of 268.24 g/mol. Its IUPAC name is triethylphosphanium;trifluoromethanesulfonate.

Molecular Properties

Compound Nametriethylphosphanium;trifluoromethanesulfonate
PubChem CID158854651
Molecular FormulaC7H16F3O3PS
Molecular Weight268.24 g/mol
Exact Mass268.05
IUPAC Nametriethylphosphanium;trifluoromethanesulfonate
SMILESCC[PH+](CC)CC.O=S(=O)([O-])C(F)(F)F
InChIInChI=1S/C6H15P.CHF3O3S/c1-4-7(5-2)6-3;2-1(3,4)8(5,6)7/h4-6H2,1-3H3;(H,5,6,7)
InChIKeyIZWVRRUPWWPJIT-UHFFFAOYSA-N
XLogP2.31
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', '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 triethylphosphanium;trifluoromethanesulfonate?
The IUPAC name of triethylphosphanium;trifluoromethanesulfonate (CID 158854651) is triethylphosphanium;trifluoromethanesulfonate.
What is the SMILES notation for triethylphosphanium;trifluoromethanesulfonate?
The canonical SMILES for triethylphosphanium;trifluoromethanesulfonate is CC[PH+](CC)CC.O=S(=O)([O-])C(F)(F)F.
What is the InChIKey of triethylphosphanium;trifluoromethanesulfonate?
The InChIKey is IZWVRRUPWWPJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15P.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 triethylphosphanium;trifluoromethanesulfonate?
triethylphosphanium;trifluoromethanesulfonate has a molecular weight of 268.24 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethylphosphanium;trifluoromethanesulfonate is sourced from PubChem (CID 158854651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).