3-(fluoromethyl)-1-(4-iodophenyl)pyrrole-2,5-diol

C11H9FINO2 — CID 54258747

IUPAC3-(fluoromethyl)-1-(4-iodophenyl)pyrrole-2,5-diol
SMILESOc1cc(CF)c(O)n1-c1ccc(I)cc1
InChIInChI=1S/C11H9FINO2/c12-6-7-5-10(15)14(11(7)16)9-3-1-8(13)2-4-9/h1-5,15-16H,6H2
InChIKeyRBYYBVBMUMWQSH-UHFFFAOYSA-N
MW333.10 g/mol
LogP2.96
Rot. Bonds2

About 3-(fluoromethyl)-1-(4-iodophenyl)pyrrole-2,5-diol

3-(fluoromethyl)-1-(4-iodophenyl)pyrrole-2,5-diol (PubChem CID 54258747) has the molecular formula C11H9FINO2 and a molecular weight of 333.10 g/mol. Its IUPAC name is 3-(fluoromethyl)-1-(4-iodophenyl)pyrrole-2,5-diol.

Molecular Properties

Compound Name3-(fluoromethyl)-1-(4-iodophenyl)pyrrole-2,5-diol
PubChem CID54258747
Molecular FormulaC11H9FINO2
Molecular Weight333.10 g/mol
Exact Mass332.97
IUPAC Name3-(fluoromethyl)-1-(4-iodophenyl)pyrrole-2,5-diol
SMILESOc1cc(CF)c(O)n1-c1ccc(I)cc1
InChIInChI=1S/C11H9FINO2/c12-6-7-5-10(15)14(11(7)16)9-3-1-8(13)2-4-9/h1-5,15-16H,6H2
InChIKeyRBYYBVBMUMWQSH-UHFFFAOYSA-N
XLogP2.96
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.10
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-1-(4-iodophenyl)pyrrole-2,5-diol?
The IUPAC name of 3-(fluoromethyl)-1-(4-iodophenyl)pyrrole-2,5-diol (CID 54258747) is 3-(fluoromethyl)-1-(4-iodophenyl)pyrrole-2,5-diol.
What is the SMILES notation for 3-(fluoromethyl)-1-(4-iodophenyl)pyrrole-2,5-diol?
The canonical SMILES for 3-(fluoromethyl)-1-(4-iodophenyl)pyrrole-2,5-diol is Oc1cc(CF)c(O)n1-c1ccc(I)cc1.
What is the InChIKey of 3-(fluoromethyl)-1-(4-iodophenyl)pyrrole-2,5-diol?
The InChIKey is RBYYBVBMUMWQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FINO2/c12-6-7-5-10(15)14(11(7)16)9-3-1-8(13)2-4-9/h1-5,15-16H,6H2.
What are the key properties of 3-(fluoromethyl)-1-(4-iodophenyl)pyrrole-2,5-diol?
3-(fluoromethyl)-1-(4-iodophenyl)pyrrole-2,5-diol has a molecular weight of 333.10 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-1-(4-iodophenyl)pyrrole-2,5-diol is sourced from PubChem (CID 54258747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).