3-(fluoromethyl)-1-(2-fluoro-5-nitrophenyl)pyrrole-2,5-diol

C11H8F2N2O4 — CID 54538777

IUPAC3-(fluoromethyl)-1-(2-fluoro-5-nitrophenyl)pyrrole-2,5-diol
SMILESO=[N+]([O-])c1ccc(F)c(-n2c(O)cc(CF)c2O)c1
InChIInChI=1S/C11H8F2N2O4/c12-5-6-3-10(16)14(11(6)17)9-4-7(15(18)19)1-2-8(9)13/h1-4,16-17H,5H2
InChIKeyZBQHKABNWZNRRM-UHFFFAOYSA-N
MW270.19 g/mol
LogP2.41
Rot. Bonds3

About 3-(fluoromethyl)-1-(2-fluoro-5-nitrophenyl)pyrrole-2,5-diol

3-(fluoromethyl)-1-(2-fluoro-5-nitrophenyl)pyrrole-2,5-diol (PubChem CID 54538777) has the molecular formula C11H8F2N2O4 and a molecular weight of 270.19 g/mol. Its IUPAC name is 3-(fluoromethyl)-1-(2-fluoro-5-nitrophenyl)pyrrole-2,5-diol.

Molecular Properties

Compound Name3-(fluoromethyl)-1-(2-fluoro-5-nitrophenyl)pyrrole-2,5-diol
PubChem CID54538777
Molecular FormulaC11H8F2N2O4
Molecular Weight270.19 g/mol
Exact Mass270.05
IUPAC Name3-(fluoromethyl)-1-(2-fluoro-5-nitrophenyl)pyrrole-2,5-diol
SMILESO=[N+]([O-])c1ccc(F)c(-n2c(O)cc(CF)c2O)c1
InChIInChI=1S/C11H8F2N2O4/c12-5-6-3-10(16)14(11(6)17)9-4-7(15(18)19)1-2-8(9)13/h1-4,16-17H,5H2
InChIKeyZBQHKABNWZNRRM-UHFFFAOYSA-N
XLogP2.41
TPSA88.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.19
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-1-(2-fluoro-5-nitrophenyl)pyrrole-2,5-diol?
The IUPAC name of 3-(fluoromethyl)-1-(2-fluoro-5-nitrophenyl)pyrrole-2,5-diol (CID 54538777) is 3-(fluoromethyl)-1-(2-fluoro-5-nitrophenyl)pyrrole-2,5-diol.
What is the SMILES notation for 3-(fluoromethyl)-1-(2-fluoro-5-nitrophenyl)pyrrole-2,5-diol?
The canonical SMILES for 3-(fluoromethyl)-1-(2-fluoro-5-nitrophenyl)pyrrole-2,5-diol is O=[N+]([O-])c1ccc(F)c(-n2c(O)cc(CF)c2O)c1.
What is the InChIKey of 3-(fluoromethyl)-1-(2-fluoro-5-nitrophenyl)pyrrole-2,5-diol?
The InChIKey is ZBQHKABNWZNRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2O4/c12-5-6-3-10(16)14(11(6)17)9-4-7(15(18)19)1-2-8(9)13/h1-4,16-17H,5H2.
What are the key properties of 3-(fluoromethyl)-1-(2-fluoro-5-nitrophenyl)pyrrole-2,5-diol?
3-(fluoromethyl)-1-(2-fluoro-5-nitrophenyl)pyrrole-2,5-diol has a molecular weight of 270.19 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-1-(2-fluoro-5-nitrophenyl)pyrrole-2,5-diol is sourced from PubChem (CID 54538777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).