2-(4-fluorophenyl)-4-iodo-5-methoxy-3,4-dihydro-2H-pyrrole

C11H11FINO — CID 162407444

IUPAC2-(4-fluorophenyl)-4-iodo-5-methoxy-3,4-dihydro-2H-pyrrole
SMILESCOC1=NC(c2ccc(F)cc2)CC1I
InChIInChI=1S/C11H11FINO/c1-15-11-9(13)6-10(14-11)7-2-4-8(12)5-3-7/h2-5,9-10H,6H2,1H3
InChIKeyAGIXJIWSPZFFHA-UHFFFAOYSA-N
MW319.12 g/mol
LogP3.12
Rot. Bonds1

About 2-(4-fluorophenyl)-4-iodo-5-methoxy-3,4-dihydro-2H-pyrrole

2-(4-fluorophenyl)-4-iodo-5-methoxy-3,4-dihydro-2H-pyrrole (PubChem CID 162407444) has the molecular formula C11H11FINO and a molecular weight of 319.12 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-iodo-5-methoxy-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-iodo-5-methoxy-3,4-dihydro-2H-pyrrole
PubChem CID162407444
Molecular FormulaC11H11FINO
Molecular Weight319.12 g/mol
Exact Mass318.99
IUPAC Name2-(4-fluorophenyl)-4-iodo-5-methoxy-3,4-dihydro-2H-pyrrole
SMILESCOC1=NC(c2ccc(F)cc2)CC1I
InChIInChI=1S/C11H11FINO/c1-15-11-9(13)6-10(14-11)7-2-4-8(12)5-3-7/h2-5,9-10H,6H2,1H3
InChIKeyAGIXJIWSPZFFHA-UHFFFAOYSA-N
XLogP3.12
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.12
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-iodo-5-methoxy-3,4-dihydro-2H-pyrrole?
The IUPAC name of 2-(4-fluorophenyl)-4-iodo-5-methoxy-3,4-dihydro-2H-pyrrole (CID 162407444) is 2-(4-fluorophenyl)-4-iodo-5-methoxy-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 2-(4-fluorophenyl)-4-iodo-5-methoxy-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 2-(4-fluorophenyl)-4-iodo-5-methoxy-3,4-dihydro-2H-pyrrole is COC1=NC(c2ccc(F)cc2)CC1I.
What is the InChIKey of 2-(4-fluorophenyl)-4-iodo-5-methoxy-3,4-dihydro-2H-pyrrole?
The InChIKey is AGIXJIWSPZFFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FINO/c1-15-11-9(13)6-10(14-11)7-2-4-8(12)5-3-7/h2-5,9-10H,6H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-4-iodo-5-methoxy-3,4-dihydro-2H-pyrrole?
2-(4-fluorophenyl)-4-iodo-5-methoxy-3,4-dihydro-2H-pyrrole has a molecular weight of 319.12 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-iodo-5-methoxy-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 162407444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).