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

C7H8F3NO2 — CID 90883535

IUPAC3,4-dimethyl-1-(trifluoromethyl)pyrrole-2,5-diol
SMILESCc1c(C)c(O)n(C(F)(F)F)c1O
InChIInChI=1S/C7H8F3NO2/c1-3-4(2)6(13)11(5(3)12)7(8,9)10/h12-13H,1-2H3
InChIKeyNXEOIHXRIZVHIT-UHFFFAOYSA-N
MW195.14 g/mol
LogP1.99
Rot. Bonds

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

3,4-dimethyl-1-(trifluoromethyl)pyrrole-2,5-diol (PubChem CID 90883535) has the molecular formula C7H8F3NO2 and a molecular weight of 195.14 g/mol. Its IUPAC name is 3,4-dimethyl-1-(trifluoromethyl)pyrrole-2,5-diol.

Molecular Properties

Compound Name3,4-dimethyl-1-(trifluoromethyl)pyrrole-2,5-diol
PubChem CID90883535
Molecular FormulaC7H8F3NO2
Molecular Weight195.14 g/mol
Exact Mass195.05
IUPAC Name3,4-dimethyl-1-(trifluoromethyl)pyrrole-2,5-diol
SMILESCc1c(C)c(O)n(C(F)(F)F)c1O
InChIInChI=1S/C7H8F3NO2/c1-3-4(2)6(13)11(5(3)12)7(8,9)10/h12-13H,1-2H3
InChIKeyNXEOIHXRIZVHIT-UHFFFAOYSA-N
XLogP1.99
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.14
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-Dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-2,5-diol
CID 90855816
1-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)-3,4-dimethylpyrrole-2,5-diol
CID 91287767
(2,5-Dihydroxy-3,4-dimethylpyrrol-1-yl) trifluoromethanesulfonate
CID 91561493
3,4-dimethyl-1H-pyrrole-2,5-diol
CID 53631232
3-Ethenyl-1,4-dimethylpyrrole-2,5-diol
CID 53865610
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
3,4-Bis(ethenyl)-1-methylpyrrole-2,5-diol
CID 91057267
1-Chloro-3,4-dimethylpyrrole-2,5-diol
CID 91100060
1-(2-Hydroxyethyl)-3,4-dimethylpyrrole-2,5-diol
CID 91300917

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-(trifluoromethyl)pyrrole-2,5-diol?
The IUPAC name of 3,4-dimethyl-1-(trifluoromethyl)pyrrole-2,5-diol (CID 90883535) is 3,4-dimethyl-1-(trifluoromethyl)pyrrole-2,5-diol.
What is the SMILES notation for 3,4-dimethyl-1-(trifluoromethyl)pyrrole-2,5-diol?
The canonical SMILES for 3,4-dimethyl-1-(trifluoromethyl)pyrrole-2,5-diol is Cc1c(C)c(O)n(C(F)(F)F)c1O.
What is the InChIKey of 3,4-dimethyl-1-(trifluoromethyl)pyrrole-2,5-diol?
The InChIKey is NXEOIHXRIZVHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO2/c1-3-4(2)6(13)11(5(3)12)7(8,9)10/h12-13H,1-2H3.
What are the key properties of 3,4-dimethyl-1-(trifluoromethyl)pyrrole-2,5-diol?
3,4-dimethyl-1-(trifluoromethyl)pyrrole-2,5-diol has a molecular weight of 195.14 g/mol, XLogP of 1.99, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-(trifluoromethyl)pyrrole-2,5-diol is sourced from PubChem (CID 90883535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).