[2,3,4,5-tetrakis(fluorosulfanyl)-6-(pyrrole-1-carbonylamino)phenyl] thiohypofluorite

C11H5F5N2OS5 — CID 122483078

IUPAC[2,3,4,5-tetrakis(fluorosulfanyl)-6-(pyrrole-1-carbonylamino)phenyl] thiohypofluorite
SMILESO=C(Nc1c(SF)c(SF)c(SF)c(SF)c1SF)n1cccc1
InChIInChI=1S/C11H5F5N2OS5/c12-20-6-5(17-11(19)18-3-1-2-4-18)7(21-13)9(23-15)10(24-16)8(6)22-14/h1-4H,(H,17,19)
InChIKeyKENSGNCWFNDHEX-UHFFFAOYSA-N
MW436.50 g/mol
LogP7.45
Rot. Bonds6

About [2,3,4,5-tetrakis(fluorosulfanyl)-6-(pyrrole-1-carbonylamino)phenyl] thiohypofluorite

[2,3,4,5-tetrakis(fluorosulfanyl)-6-(pyrrole-1-carbonylamino)phenyl] thiohypofluorite (PubChem CID 122483078) has the molecular formula C11H5F5N2OS5 and a molecular weight of 436.50 g/mol. Its IUPAC name is [2,3,4,5-tetrakis(fluorosulfanyl)-6-(pyrrole-1-carbonylamino)phenyl] thiohypofluorite.

Molecular Properties

Compound Name[2,3,4,5-tetrakis(fluorosulfanyl)-6-(pyrrole-1-carbonylamino)phenyl] thiohypofluorite
PubChem CID122483078
Molecular FormulaC11H5F5N2OS5
Molecular Weight436.50 g/mol
Exact Mass435.89
IUPAC Name[2,3,4,5-tetrakis(fluorosulfanyl)-6-(pyrrole-1-carbonylamino)phenyl] thiohypofluorite
SMILESO=C(Nc1c(SF)c(SF)c(SF)c(SF)c1SF)n1cccc1
InChIInChI=1S/C11H5F5N2OS5/c12-20-6-5(17-11(19)18-3-1-2-4-18)7(21-13)9(23-15)10(24-16)8(6)22-14/h1-4H,(H,17,19)
InChIKeyKENSGNCWFNDHEX-UHFFFAOYSA-N
XLogP7.45
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.50
LogP ≤ 57.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2,3,4,5-tetrakis(fluorosulfanyl)-6-(pyrrole-1-carbonylamino)phenyl] thiohypofluorite?
The IUPAC name of [2,3,4,5-tetrakis(fluorosulfanyl)-6-(pyrrole-1-carbonylamino)phenyl] thiohypofluorite (CID 122483078) is [2,3,4,5-tetrakis(fluorosulfanyl)-6-(pyrrole-1-carbonylamino)phenyl] thiohypofluorite.
What is the SMILES notation for [2,3,4,5-tetrakis(fluorosulfanyl)-6-(pyrrole-1-carbonylamino)phenyl] thiohypofluorite?
The canonical SMILES for [2,3,4,5-tetrakis(fluorosulfanyl)-6-(pyrrole-1-carbonylamino)phenyl] thiohypofluorite is O=C(Nc1c(SF)c(SF)c(SF)c(SF)c1SF)n1cccc1.
What is the InChIKey of [2,3,4,5-tetrakis(fluorosulfanyl)-6-(pyrrole-1-carbonylamino)phenyl] thiohypofluorite?
The InChIKey is KENSGNCWFNDHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F5N2OS5/c12-20-6-5(17-11(19)18-3-1-2-4-18)7(21-13)9(23-15)10(24-16)8(6)22-14/h1-4H,(H,17,19).
What are the key properties of [2,3,4,5-tetrakis(fluorosulfanyl)-6-(pyrrole-1-carbonylamino)phenyl] thiohypofluorite?
[2,3,4,5-tetrakis(fluorosulfanyl)-6-(pyrrole-1-carbonylamino)phenyl] thiohypofluorite has a molecular weight of 436.50 g/mol, XLogP of 7.45, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3,4,5-tetrakis(fluorosulfanyl)-6-(pyrrole-1-carbonylamino)phenyl] thiohypofluorite is sourced from PubChem (CID 122483078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).