(2,5-dihydroxypyrrol-1-yl) trifluoromethyl sulfite

C5H4F3NO5S — CID 91452689

IUPAC(2,5-dihydroxypyrrol-1-yl) trifluoromethyl sulfite
SMILESO=S(On1c(O)ccc1O)OC(F)(F)F
InChIInChI=1S/C5H4F3NO5S/c6-5(7,8)13-15(12)14-9-3(10)1-2-4(9)11/h1-2,10-11H
InChIKeyRDFKPNSYVDNNNE-UHFFFAOYSA-N
MW247.15 g/mol
LogP0.44
Rot. Bonds3

About (2,5-dihydroxypyrrol-1-yl) trifluoromethyl sulfite

(2,5-dihydroxypyrrol-1-yl) trifluoromethyl sulfite (PubChem CID 91452689) has the molecular formula C5H4F3NO5S and a molecular weight of 247.15 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) trifluoromethyl sulfite.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) trifluoromethyl sulfite
PubChem CID91452689
Molecular FormulaC5H4F3NO5S
Molecular Weight247.15 g/mol
Exact Mass246.98
IUPAC Name(2,5-dihydroxypyrrol-1-yl) trifluoromethyl sulfite
SMILESO=S(On1c(O)ccc1O)OC(F)(F)F
InChIInChI=1S/C5H4F3NO5S/c6-5(7,8)13-15(12)14-9-3(10)1-2-4(9)11/h1-2,10-11H
InChIKeyRDFKPNSYVDNNNE-UHFFFAOYSA-N
XLogP0.44
TPSA80.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.15
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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) acetate
CID 53633352
(2,5-Dihydroxypyrrol-1-yl) prop-2-enoate
CID 53643718
(2,5-Dihydroxypyrrol-1-yl) hydrogen carbonate
CID 53696361
1-Iodopyrrole-2,5-diol
CID 53748320
1-Chloropyrrole-2,5-diol
CID 53783263
Bis(2,5-dihydroxypyrrol-1-yl) carbonate
CID 53830932
1-Hydroxypyrrole-2,5-diol
CID 53887891
(2,5-Dihydroxypyrrol-1-yl) propanoate
CID 53941700
(2,5-Dihydroxypyrrol-1-yl) butanoate
CID 54133325
(2,5-Dihydroxypyrrol-1-yl) 2-bromoacetate
CID 54138195

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) trifluoromethyl sulfite?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) trifluoromethyl sulfite (CID 91452689) is (2,5-dihydroxypyrrol-1-yl) trifluoromethyl sulfite.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) trifluoromethyl sulfite?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) trifluoromethyl sulfite is O=S(On1c(O)ccc1O)OC(F)(F)F.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) trifluoromethyl sulfite?
The InChIKey is RDFKPNSYVDNNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3NO5S/c6-5(7,8)13-15(12)14-9-3(10)1-2-4(9)11/h1-2,10-11H.
What are the key properties of (2,5-dihydroxypyrrol-1-yl) trifluoromethyl sulfite?
(2,5-dihydroxypyrrol-1-yl) trifluoromethyl sulfite has a molecular weight of 247.15 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl) trifluoromethyl sulfite is sourced from PubChem (CID 91452689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).