3,4-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-2,5-diol

C8H10F3NO2 — CID 90855816

IUPAC3,4-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-2,5-diol
SMILESCc1c(C)c(O)n(CC(F)(F)F)c1O
InChIInChI=1S/C8H10F3NO2/c1-4-5(2)7(14)12(6(4)13)3-8(9,10)11/h13-14H,3H2,1-2H3
InChIKeySBVFUJCOLVACRE-UHFFFAOYSA-N
MW209.17 g/mol
LogP2.08
Rot. Bonds1

About 3,4-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-2,5-diol

3,4-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-2,5-diol (PubChem CID 90855816) has the molecular formula C8H10F3NO2 and a molecular weight of 209.17 g/mol. Its IUPAC name is 3,4-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-2,5-diol.

Molecular Properties

Compound Name3,4-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-2,5-diol
PubChem CID90855816
Molecular FormulaC8H10F3NO2
Molecular Weight209.17 g/mol
Exact Mass209.07
IUPAC Name3,4-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-2,5-diol
SMILESCc1c(C)c(O)n(CC(F)(F)F)c1O
InChIInChI=1S/C8H10F3NO2/c1-4-5(2)7(14)12(6(4)13)3-8(9,10)11/h13-14H,3H2,1-2H3
InChIKeySBVFUJCOLVACRE-UHFFFAOYSA-N
XLogP2.08
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4,4-Trifluorobut-3-enyl)pyrrole-2,5-diol
CID 53856482
3,4-Dimethyl-1-(trifluoromethyl)pyrrole-2,5-diol
CID 90883535
1-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)-3,4-dimethylpyrrole-2,5-diol
CID 91287767
3-Ethenyl-1,4-dimethylpyrrole-2,5-diol
CID 53865610
3,4-Dimethyl-1-(oxiran-2-ylmethyl)pyrrole-2,5-diol
CID 53977350
1-(Hydroxymethyl)-3,4-dimethylpyrrole-2,5-diol
CID 54194747
1,3,4-Trimethylpyrrole-2,5-diol
CID 54321733
3,4-Dimethyl-1-propan-2-ylpyrrole-2,5-diol
CID 90692852
1-(3,3-Dimethylbutyl)-3,4-dimethylpyrrole-2,5-diol
CID 90750204
Methyl 2-(2,5-dihydroxy-3,4-dimethylpyrrol-1-yl)acetate
CID 90775462
3-Methyl-1-(2-methylpropyl)pyrrole-2,5-diol
CID 90900019
1-Cyclohexyl-3,4-dimethylpyrrole-2,5-diol
CID 90956359

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-2,5-diol?
The IUPAC name of 3,4-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-2,5-diol (CID 90855816) is 3,4-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-2,5-diol.
What is the SMILES notation for 3,4-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-2,5-diol?
The canonical SMILES for 3,4-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-2,5-diol is Cc1c(C)c(O)n(CC(F)(F)F)c1O.
What is the InChIKey of 3,4-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-2,5-diol?
The InChIKey is SBVFUJCOLVACRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO2/c1-4-5(2)7(14)12(6(4)13)3-8(9,10)11/h13-14H,3H2,1-2H3.
What are the key properties of 3,4-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-2,5-diol?
3,4-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-2,5-diol has a molecular weight of 209.17 g/mol, XLogP of 2.08, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-2,5-diol is sourced from PubChem (CID 90855816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).