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

C5H4F3NO2 — CID 90906417

IUPAC1-(trifluoromethyl)pyrrole-2,5-diol
SMILESOc1ccc(O)n1C(F)(F)F
InChIInChI=1S/C5H4F3NO2/c6-5(7,8)9-3(10)1-2-4(9)11/h1-2,10-11H
InChIKeyDHQRCYLJICQCBP-UHFFFAOYSA-N
MW167.09 g/mol
LogP1.38
Rot. Bonds

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

1-(trifluoromethyl)pyrrole-2,5-diol (PubChem CID 90906417) has the molecular formula C5H4F3NO2 and a molecular weight of 167.09 g/mol. Its IUPAC name is 1-(trifluoromethyl)pyrrole-2,5-diol.

Molecular Properties

Compound Name1-(trifluoromethyl)pyrrole-2,5-diol
PubChem CID90906417
Molecular FormulaC5H4F3NO2
Molecular Weight167.09 g/mol
Exact Mass167.02
IUPAC Name1-(trifluoromethyl)pyrrole-2,5-diol
SMILESOc1ccc(O)n1C(F)(F)F
InChIInChI=1S/C5H4F3NO2/c6-5(7,8)9-3(10)1-2-4(9)11/h1-2,10-11H
InChIKeyDHQRCYLJICQCBP-UHFFFAOYSA-N
XLogP1.38
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.09
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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) acetate
CID 53633352
(2,5-Dihydroxypyrrol-1-yl) hydrogen carbonate
CID 53696361
1H-pyrrole-2,5-diol
CID 53710320
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

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)pyrrole-2,5-diol?
The IUPAC name of 1-(trifluoromethyl)pyrrole-2,5-diol (CID 90906417) is 1-(trifluoromethyl)pyrrole-2,5-diol.
What is the SMILES notation for 1-(trifluoromethyl)pyrrole-2,5-diol?
The canonical SMILES for 1-(trifluoromethyl)pyrrole-2,5-diol is Oc1ccc(O)n1C(F)(F)F.
What is the InChIKey of 1-(trifluoromethyl)pyrrole-2,5-diol?
The InChIKey is DHQRCYLJICQCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3NO2/c6-5(7,8)9-3(10)1-2-4(9)11/h1-2,10-11H.
What are the key properties of 1-(trifluoromethyl)pyrrole-2,5-diol?
1-(trifluoromethyl)pyrrole-2,5-diol has a molecular weight of 167.09 g/mol, XLogP of 1.38, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)pyrrole-2,5-diol is sourced from PubChem (CID 90906417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).