silver 2,3,4,5-tetrakis(trifluoromethylsulfanyl)pyrrol-1-ide

C8AgF12NS4 — CID 12508335

IUPACsilver 2,3,4,5-tetrakis(trifluoromethylsulfanyl)pyrrol-1-ide
SMILESFC(F)(F)Sc1[n-]c(SC(F)(F)F)c(SC(F)(F)F)c1SC(F)(F)F.[Ag+]
InChIInChI=1S/C8F12NS4.Ag/c9-5(10,11)22-1-2(23-6(12,13)14)4(25-8(18,19)20)21-3(1)24-7(15,16)17;/q-1;+1
InChIKeyOOEIESNVXWFSDF-UHFFFAOYSA-N
MW574.21 g/mol
LogP7.09
Rot. Bonds4

About silver 2,3,4,5-tetrakis(trifluoromethylsulfanyl)pyrrol-1-ide

silver 2,3,4,5-tetrakis(trifluoromethylsulfanyl)pyrrol-1-ide (PubChem CID 12508335) has the molecular formula C8AgF12NS4 and a molecular weight of 574.21 g/mol. Its IUPAC name is silver 2,3,4,5-tetrakis(trifluoromethylsulfanyl)pyrrol-1-ide.

Molecular Properties

Compound Namesilver 2,3,4,5-tetrakis(trifluoromethylsulfanyl)pyrrol-1-ide
PubChem CID12508335
Molecular FormulaC8AgF12NS4
Molecular Weight574.21 g/mol
Exact Mass572.78
IUPAC Namesilver 2,3,4,5-tetrakis(trifluoromethylsulfanyl)pyrrol-1-ide
SMILESFC(F)(F)Sc1[n-]c(SC(F)(F)F)c(SC(F)(F)F)c1SC(F)(F)F.[Ag+]
InChIInChI=1S/C8F12NS4.Ag/c9-5(10,11)22-1-2(23-6(12,13)14)4(25-8(18,19)20)21-3(1)24-7(15,16)17;/q-1;+1
InChIKeyOOEIESNVXWFSDF-UHFFFAOYSA-N
XLogP7.09
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.21
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of silver 2,3,4,5-tetrakis(trifluoromethylsulfanyl)pyrrol-1-ide?
The IUPAC name of silver 2,3,4,5-tetrakis(trifluoromethylsulfanyl)pyrrol-1-ide (CID 12508335) is silver 2,3,4,5-tetrakis(trifluoromethylsulfanyl)pyrrol-1-ide.
What is the SMILES notation for silver 2,3,4,5-tetrakis(trifluoromethylsulfanyl)pyrrol-1-ide?
The canonical SMILES for silver 2,3,4,5-tetrakis(trifluoromethylsulfanyl)pyrrol-1-ide is FC(F)(F)Sc1[n-]c(SC(F)(F)F)c(SC(F)(F)F)c1SC(F)(F)F.[Ag+].
What is the InChIKey of silver 2,3,4,5-tetrakis(trifluoromethylsulfanyl)pyrrol-1-ide?
The InChIKey is OOEIESNVXWFSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8F12NS4.Ag/c9-5(10,11)22-1-2(23-6(12,13)14)4(25-8(18,19)20)21-3(1)24-7(15,16)17;/q-1;+1.
What are the key properties of silver 2,3,4,5-tetrakis(trifluoromethylsulfanyl)pyrrol-1-ide?
silver 2,3,4,5-tetrakis(trifluoromethylsulfanyl)pyrrol-1-ide has a molecular weight of 574.21 g/mol, XLogP of 7.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for silver 2,3,4,5-tetrakis(trifluoromethylsulfanyl)pyrrol-1-ide is sourced from PubChem (CID 12508335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).