(2,5-dihydroxypyrrol-1-yl) 2,2,2-trifluoroacetate

C6H4F3NO4 — CID 54515596

IUPAC(2,5-dihydroxypyrrol-1-yl) 2,2,2-trifluoroacetate
SMILESO=C(On1c(O)ccc1O)C(F)(F)F
InChIInChI=1S/C6H4F3NO4/c7-6(8,9)5(13)14-10-3(11)1-2-4(10)12/h1-2,11-12H
InChIKeyYMFAOZNZGFXKJO-UHFFFAOYSA-N
MW211.09 g/mol
LogP0.42
Rot. Bonds1

About (2,5-dihydroxypyrrol-1-yl) 2,2,2-trifluoroacetate

(2,5-dihydroxypyrrol-1-yl) 2,2,2-trifluoroacetate (PubChem CID 54515596) has the molecular formula C6H4F3NO4 and a molecular weight of 211.09 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) 2,2,2-trifluoroacetate
PubChem CID54515596
Molecular FormulaC6H4F3NO4
Molecular Weight211.09 g/mol
Exact Mass211.01
IUPAC Name(2,5-dihydroxypyrrol-1-yl) 2,2,2-trifluoroacetate
SMILESO=C(On1c(O)ccc1O)C(F)(F)F
InChIInChI=1S/C6H4F3NO4/c7-6(8,9)5(13)14-10-3(11)1-2-4(10)12/h1-2,11-12H
InChIKeyYMFAOZNZGFXKJO-UHFFFAOYSA-N
XLogP0.42
TPSA71.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.09
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2,5-dihydroxypyrrol-1-yl) 2,2,2-trifluoroacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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
3-(2,5-Dihydroxypyrrol-1-yl)propanoic acid
CID 53739330
1-Iodopyrrole-2,5-diol
CID 53748320
(2,5-Dihydroxypyrrol-1-yl) hexanoate
CID 53776568
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
Bis(2,5-dihydroxypyrrol-1-yl) butanedioate
CID 54004295
(2,5-Dihydroxypyrrol-1-yl) 2-acetylsulfanylacetate
CID 54099864

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) 2,2,2-trifluoroacetate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 2,2,2-trifluoroacetate (CID 54515596) is (2,5-dihydroxypyrrol-1-yl) 2,2,2-trifluoroacetate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 2,2,2-trifluoroacetate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 2,2,2-trifluoroacetate is O=C(On1c(O)ccc1O)C(F)(F)F.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 2,2,2-trifluoroacetate?
The InChIKey is YMFAOZNZGFXKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NO4/c7-6(8,9)5(13)14-10-3(11)1-2-4(10)12/h1-2,11-12H.
What are the key properties of (2,5-dihydroxypyrrol-1-yl) 2,2,2-trifluoroacetate?
(2,5-dihydroxypyrrol-1-yl) 2,2,2-trifluoroacetate has a molecular weight of 211.09 g/mol, XLogP of 0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl) 2,2,2-trifluoroacetate is sourced from PubChem (CID 54515596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).