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

C6H4F3NO3 — CID 54277587

IUPAC1-(2,5-dihydroxypyrrol-1-yl)-2,2,2-trifluoroethanone
SMILESO=C(n1c(O)ccc1O)C(F)(F)F
InChIInChI=1S/C6H4F3NO3/c7-6(8,9)5(13)10-3(11)1-2-4(10)12/h1-2,11-12H
InChIKeyROMNMZALNLZCBF-UHFFFAOYSA-N
MW195.10 g/mol
LogP1.10
Rot. Bonds

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

1-(2,5-dihydroxypyrrol-1-yl)-2,2,2-trifluoroethanone (PubChem CID 54277587) has the molecular formula C6H4F3NO3 and a molecular weight of 195.10 g/mol. Its IUPAC name is 1-(2,5-dihydroxypyrrol-1-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(2,5-dihydroxypyrrol-1-yl)-2,2,2-trifluoroethanone
PubChem CID54277587
Molecular FormulaC6H4F3NO3
Molecular Weight195.10 g/mol
Exact Mass195.01
IUPAC Name1-(2,5-dihydroxypyrrol-1-yl)-2,2,2-trifluoroethanone
SMILESO=C(n1c(O)ccc1O)C(F)(F)F
InChIInChI=1S/C6H4F3NO3/c7-6(8,9)5(13)10-3(11)1-2-4(10)12/h1-2,11-12H
InChIKeyROMNMZALNLZCBF-UHFFFAOYSA-N
XLogP1.10
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.10
LogP ≤ 51.10
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
1-(2,5-Dihydroxypyrrol-1-yl)propan-1-one
CID 53632841
(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-Ethylpyrrole-2,5-diol
CID 54068298
2,5-Dihydroxypyrrole-1-carbaldehyde
CID 54249812
1-(2,5-Dihydroxypyrrol-1-yl)ethanone
CID 54531133
(2,5-Dihydroxypyrrol-1-yl) thiocyanate
CID 91264717

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dihydroxypyrrol-1-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(2,5-dihydroxypyrrol-1-yl)-2,2,2-trifluoroethanone (CID 54277587) is 1-(2,5-dihydroxypyrrol-1-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(2,5-dihydroxypyrrol-1-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(2,5-dihydroxypyrrol-1-yl)-2,2,2-trifluoroethanone is O=C(n1c(O)ccc1O)C(F)(F)F.
What is the InChIKey of 1-(2,5-dihydroxypyrrol-1-yl)-2,2,2-trifluoroethanone?
The InChIKey is ROMNMZALNLZCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NO3/c7-6(8,9)5(13)10-3(11)1-2-4(10)12/h1-2,11-12H.
What are the key properties of 1-(2,5-dihydroxypyrrol-1-yl)-2,2,2-trifluoroethanone?
1-(2,5-dihydroxypyrrol-1-yl)-2,2,2-trifluoroethanone has a molecular weight of 195.10 g/mol, XLogP of 1.10, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dihydroxypyrrol-1-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 54277587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).