1-(trifluoromethylsulfinyl)pyrrole-2,5-diol

C5H4F3NO3S — CID 91418910

IUPAC1-(trifluoromethylsulfinyl)pyrrole-2,5-diol
SMILESO=S(n1c(O)ccc1O)C(F)(F)F
InChIInChI=1S/C5H4F3NO3S/c6-5(7,8)13(12)9-3(10)1-2-4(9)11/h1-2,10-11H
InChIKeyLPNJFHOEWSQUPV-UHFFFAOYSA-N
MW215.15 g/mol
LogP0.93
Rot. Bonds1

About 1-(trifluoromethylsulfinyl)pyrrole-2,5-diol

1-(trifluoromethylsulfinyl)pyrrole-2,5-diol (PubChem CID 91418910) has the molecular formula C5H4F3NO3S and a molecular weight of 215.15 g/mol. Its IUPAC name is 1-(trifluoromethylsulfinyl)pyrrole-2,5-diol.

Molecular Properties

Compound Name1-(trifluoromethylsulfinyl)pyrrole-2,5-diol
PubChem CID91418910
Molecular FormulaC5H4F3NO3S
Molecular Weight215.15 g/mol
Exact Mass214.99
IUPAC Name1-(trifluoromethylsulfinyl)pyrrole-2,5-diol
SMILESO=S(n1c(O)ccc1O)C(F)(F)F
InChIInChI=1S/C5H4F3NO3S/c6-5(7,8)13(12)9-3(10)1-2-4(9)11/h1-2,10-11H
InChIKeyLPNJFHOEWSQUPV-UHFFFAOYSA-N
XLogP0.93
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.15
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2,5-Dihydroxypyrrol-1-yl) 2,2,2-trifluoroacetate
CID 54515596
1-Methylpyrrole-2,5-diol
CID 21326740
(2,5-Dihydroxypyrrol-1-yl) hydrogen carbonate
CID 53696361
1-Iodopyrrole-2,5-diol
CID 53748320
1-Chloropyrrole-2,5-diol
CID 53783263
1-Hydroxypyrrole-2,5-diol
CID 53887891
1-(Hydroxymethyl)pyrrole-2,5-diol
CID 54060161
1-(2,5-Dihydroxypyrrol-1-yl)sulfanylpyrrole-2,5-diol
CID 54463532
1,3-Diiodopyrrole-2,5-diol
CID 90763766
(2,5-Dihydroxypyrrol-1-yl) thiocyanate
CID 91264717
1-Propylsulfanylpyrrole-2,5-diol
CID 124033477
1-Nitrosopyrrole-2,5-diol
CID 136025201

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethylsulfinyl)pyrrole-2,5-diol?
The IUPAC name of 1-(trifluoromethylsulfinyl)pyrrole-2,5-diol (CID 91418910) is 1-(trifluoromethylsulfinyl)pyrrole-2,5-diol.
What is the SMILES notation for 1-(trifluoromethylsulfinyl)pyrrole-2,5-diol?
The canonical SMILES for 1-(trifluoromethylsulfinyl)pyrrole-2,5-diol is O=S(n1c(O)ccc1O)C(F)(F)F.
What is the InChIKey of 1-(trifluoromethylsulfinyl)pyrrole-2,5-diol?
The InChIKey is LPNJFHOEWSQUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3NO3S/c6-5(7,8)13(12)9-3(10)1-2-4(9)11/h1-2,10-11H.
What are the key properties of 1-(trifluoromethylsulfinyl)pyrrole-2,5-diol?
1-(trifluoromethylsulfinyl)pyrrole-2,5-diol has a molecular weight of 215.15 g/mol, XLogP of 0.93, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethylsulfinyl)pyrrole-2,5-diol is sourced from PubChem (CID 91418910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).