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

C6H7F2NO2 — CID 123363913

IUPAC1-(2,2-difluoroethyl)pyrrole-2,5-diol
SMILESOc1ccc(O)n1CC(F)F
InChIInChI=1S/C6H7F2NO2/c7-4(8)3-9-5(10)1-2-6(9)11/h1-2,4,10-11H,3H2
InChIKeyZSXOZWMIZKHYQU-UHFFFAOYSA-N
MW163.12 g/mol
LogP1.16
Rot. Bonds2

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

1-(2,2-difluoroethyl)pyrrole-2,5-diol (PubChem CID 123363913) has the molecular formula C6H7F2NO2 and a molecular weight of 163.12 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)pyrrole-2,5-diol.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)pyrrole-2,5-diol
PubChem CID123363913
Molecular FormulaC6H7F2NO2
Molecular Weight163.12 g/mol
Exact Mass163.04
IUPAC Name1-(2,2-difluoroethyl)pyrrole-2,5-diol
SMILESOc1ccc(O)n1CC(F)F
InChIInChI=1S/C6H7F2NO2/c7-4(8)3-9-5(10)1-2-6(9)11/h1-2,4,10-11H,3H2
InChIKeyZSXOZWMIZKHYQU-UHFFFAOYSA-N
XLogP1.16
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.12
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2,2-difluoroethyl)pyrrole-2,5-diol 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) 2,2,2-trifluoroacetate
CID 54515596
1-Methyl-1H-pyrrol-2-ol
CID 13795008
1-Methylpyrrole-2,5-diol
CID 21326740
1-(2,5-Dihydroxypyrrol-1-yl)propan-1-one
CID 53632841
3-(2,5-Dihydroxypyrrol-1-yl)propanoic acid
CID 53739330
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-(2,5-Dihydroxypyrrol-1-yl)ethanesulfonic acid
CID 54209766
2,5-Dihydroxypyrrole-1-carbaldehyde
CID 54249812

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)pyrrole-2,5-diol?
The IUPAC name of 1-(2,2-difluoroethyl)pyrrole-2,5-diol (CID 123363913) is 1-(2,2-difluoroethyl)pyrrole-2,5-diol.
What is the SMILES notation for 1-(2,2-difluoroethyl)pyrrole-2,5-diol?
The canonical SMILES for 1-(2,2-difluoroethyl)pyrrole-2,5-diol is Oc1ccc(O)n1CC(F)F.
What is the InChIKey of 1-(2,2-difluoroethyl)pyrrole-2,5-diol?
The InChIKey is ZSXOZWMIZKHYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2NO2/c7-4(8)3-9-5(10)1-2-6(9)11/h1-2,4,10-11H,3H2.
What are the key properties of 1-(2,2-difluoroethyl)pyrrole-2,5-diol?
1-(2,2-difluoroethyl)pyrrole-2,5-diol has a molecular weight of 163.12 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)pyrrole-2,5-diol is sourced from PubChem (CID 123363913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).