silver;propan-2-yl trifluoromethanesulfonate;trifluoromethanesulfonate

C5H7AgF6O6S2 — CID 159157127

IUPACsilver;propan-2-yl trifluoromethanesulfonate;trifluoromethanesulfonate
SMILESCC(C)OS(=O)(=O)C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ag+]
InChIInChI=1S/C4H7F3O3S.CHF3O3S.Ag/c1-3(2)10-11(8,9)4(5,6)7;2-1(3,4)8(5,6)7;/h3H,1-2H3;(H,5,6,7);/q;;+1/p-1
InChIKeyKKALZJQQUGMPKF-UHFFFAOYSA-M
MW449.10 g/mol
LogP1.31
Rot. Bonds2

About silver;propan-2-yl trifluoromethanesulfonate;trifluoromethanesulfonate

silver;propan-2-yl trifluoromethanesulfonate;trifluoromethanesulfonate (PubChem CID 159157127) has the molecular formula C5H7AgF6O6S2 and a molecular weight of 449.10 g/mol. Its IUPAC name is silver;propan-2-yl trifluoromethanesulfonate;trifluoromethanesulfonate.

Molecular Properties

Compound Namesilver;propan-2-yl trifluoromethanesulfonate;trifluoromethanesulfonate
PubChem CID159157127
Molecular FormulaC5H7AgF6O6S2
Molecular Weight449.10 g/mol
Exact Mass447.86
IUPAC Namesilver;propan-2-yl trifluoromethanesulfonate;trifluoromethanesulfonate
SMILESCC(C)OS(=O)(=O)C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ag+]
InChIInChI=1S/C4H7F3O3S.CHF3O3S.Ag/c1-3(2)10-11(8,9)4(5,6)7;2-1(3,4)8(5,6)7;/h3H,1-2H3;(H,5,6,7);/q;;+1/p-1
InChIKeyKKALZJQQUGMPKF-UHFFFAOYSA-M
XLogP1.31
TPSA100.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.10
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

propan-2-yl trifluoromethanesulfonate
CID 10877967
[(2R)-3-oxobutan-2-yl] trifluoromethanesulfonate
CID 58280565
pentakis(trifluoromethanesulfonate);vanadium
CID 140617079
scandium(3+);bis(trifluoromethanesulfonate)
CID 135121751
CID 170997250
CID 170997250
dodecakis(cerium(3+));(trifluoromethanesulfonate)
CID 173221749
dilithium;hydride;trifluoromethanesulfonate
CID 173362891
palladium(1+) monohydride;trifluoromethanesulfonate;bis(tri(propan-2-yl)phosphane)
CID 173203711
trifluoromethanesulfonate;trimethylstannanylium
CID 119095664
dimethylalumanylium;trifluoromethanesulfonate
CID 16688558
methyl 2-(trifluoromethylsulfonyloxy)propanoate
CID 13388929
bis(trimethylsilyl)methyl trifluoromethanesulfonate
CID 87370249

Frequently Asked Questions

What is the IUPAC name of silver;propan-2-yl trifluoromethanesulfonate;trifluoromethanesulfonate?
The IUPAC name of silver;propan-2-yl trifluoromethanesulfonate;trifluoromethanesulfonate (CID 159157127) is silver;propan-2-yl trifluoromethanesulfonate;trifluoromethanesulfonate.
What is the SMILES notation for silver;propan-2-yl trifluoromethanesulfonate;trifluoromethanesulfonate?
The canonical SMILES for silver;propan-2-yl trifluoromethanesulfonate;trifluoromethanesulfonate is CC(C)OS(=O)(=O)C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ag+].
What is the InChIKey of silver;propan-2-yl trifluoromethanesulfonate;trifluoromethanesulfonate?
The InChIKey is KKALZJQQUGMPKF-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H7F3O3S.CHF3O3S.Ag/c1-3(2)10-11(8,9)4(5,6)7;2-1(3,4)8(5,6)7;/h3H,1-2H3;(H,5,6,7);/q;;+1/p-1.
What are the key properties of silver;propan-2-yl trifluoromethanesulfonate;trifluoromethanesulfonate?
silver;propan-2-yl trifluoromethanesulfonate;trifluoromethanesulfonate has a molecular weight of 449.10 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for silver;propan-2-yl trifluoromethanesulfonate;trifluoromethanesulfonate is sourced from PubChem (CID 159157127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).