silver;bis(piperidine);trifluoromethanesulfonate

C11H22AgF3N2O3S — CID 139161031

IUPACsilver;bis(piperidine);trifluoromethanesulfonate
SMILESC1CCNCC1.C1CCNCC1.O=S(=O)([O-])C(F)(F)F.[Ag+]
InChIInChI=1S/2C5H11N.CHF3O3S.Ag/c2*1-2-4-6-5-3-1;2-1(3,4)8(5,6)7;/h2*6H,1-5H2;(H,5,6,7);/q;;;+1/p-1
InChIKeySNMNGLPEUNVFHM-UHFFFAOYSA-M
MW427.24 g/mol
LogP1.57
Rot. Bonds

About silver;bis(piperidine);trifluoromethanesulfonate

silver;bis(piperidine);trifluoromethanesulfonate (PubChem CID 139161031) has the molecular formula C11H22AgF3N2O3S and a molecular weight of 427.24 g/mol. Its IUPAC name is silver;bis(piperidine);trifluoromethanesulfonate.

Molecular Properties

Compound Namesilver;bis(piperidine);trifluoromethanesulfonate
PubChem CID139161031
Molecular FormulaC11H22AgF3N2O3S
Molecular Weight427.24 g/mol
Exact Mass426.04
IUPAC Namesilver;bis(piperidine);trifluoromethanesulfonate
SMILESC1CCNCC1.C1CCNCC1.O=S(=O)([O-])C(F)(F)F.[Ag+]
InChIInChI=1S/2C5H11N.CHF3O3S.Ag/c2*1-2-4-6-5-3-1;2-1(3,4)8(5,6)7;/h2*6H,1-5H2;(H,5,6,7);/q;;;+1/p-1
InChIKeySNMNGLPEUNVFHM-UHFFFAOYSA-M
XLogP1.57
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.24
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 silver;bis(piperidine);trifluoromethanesulfonate?
The IUPAC name of silver;bis(piperidine);trifluoromethanesulfonate (CID 139161031) is silver;bis(piperidine);trifluoromethanesulfonate.
What is the SMILES notation for silver;bis(piperidine);trifluoromethanesulfonate?
The canonical SMILES for silver;bis(piperidine);trifluoromethanesulfonate is C1CCNCC1.C1CCNCC1.O=S(=O)([O-])C(F)(F)F.[Ag+].
What is the InChIKey of silver;bis(piperidine);trifluoromethanesulfonate?
The InChIKey is SNMNGLPEUNVFHM-UHFFFAOYSA-M. The full InChI is InChI=1S/2C5H11N.CHF3O3S.Ag/c2*1-2-4-6-5-3-1;2-1(3,4)8(5,6)7;/h2*6H,1-5H2;(H,5,6,7);/q;;;+1/p-1.
What are the key properties of silver;bis(piperidine);trifluoromethanesulfonate?
silver;bis(piperidine);trifluoromethanesulfonate has a molecular weight of 427.24 g/mol, XLogP of 1.57, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for silver;bis(piperidine);trifluoromethanesulfonate is sourced from PubChem (CID 139161031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).