(4R)-1-(3-fluoro-4-iodophenyl)-4-(hydroxymethyl)pyrrolidin-2-one

C11H11FINO2 — CID 71096950

IUPAC(4R)-1-(3-fluoro-4-iodophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
SMILESO=C1C[C@@H](CO)CN1c1ccc(I)c(F)c1
InChIInChI=1S/C11H11FINO2/c12-9-4-8(1-2-10(9)13)14-5-7(6-15)3-11(14)16/h1-2,4,7,15H,3,5-6H2/t7-/m1/s1
InChIKeyHGEPGQOVERIWGZ-SSDOTTSWSA-N
MW335.12 g/mol
LogP1.78
Rot. Bonds2

About (4R)-1-(3-fluoro-4-iodophenyl)-4-(hydroxymethyl)pyrrolidin-2-one

(4R)-1-(3-fluoro-4-iodophenyl)-4-(hydroxymethyl)pyrrolidin-2-one (PubChem CID 71096950) has the molecular formula C11H11FINO2 and a molecular weight of 335.12 g/mol. Its IUPAC name is (4R)-1-(3-fluoro-4-iodophenyl)-4-(hydroxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(3-fluoro-4-iodophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
PubChem CID71096950
Molecular FormulaC11H11FINO2
Molecular Weight335.12 g/mol
Exact Mass334.98
IUPAC Name(4R)-1-(3-fluoro-4-iodophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
SMILESO=C1C[C@@H](CO)CN1c1ccc(I)c(F)c1
InChIInChI=1S/C11H11FINO2/c12-9-4-8(1-2-10(9)13)14-5-7(6-15)3-11(14)16/h1-2,4,7,15H,3,5-6H2/t7-/m1/s1
InChIKeyHGEPGQOVERIWGZ-SSDOTTSWSA-N
XLogP1.78
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.12
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-(3-fluoro-4-iodophenyl)-4-(hydroxymethyl)pyrrolidin-2-one?
The IUPAC name of (4R)-1-(3-fluoro-4-iodophenyl)-4-(hydroxymethyl)pyrrolidin-2-one (CID 71096950) is (4R)-1-(3-fluoro-4-iodophenyl)-4-(hydroxymethyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(3-fluoro-4-iodophenyl)-4-(hydroxymethyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(3-fluoro-4-iodophenyl)-4-(hydroxymethyl)pyrrolidin-2-one is O=C1C[C@@H](CO)CN1c1ccc(I)c(F)c1.
What is the InChIKey of (4R)-1-(3-fluoro-4-iodophenyl)-4-(hydroxymethyl)pyrrolidin-2-one?
The InChIKey is HGEPGQOVERIWGZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H11FINO2/c12-9-4-8(1-2-10(9)13)14-5-7(6-15)3-11(14)16/h1-2,4,7,15H,3,5-6H2/t7-/m1/s1.
What are the key properties of (4R)-1-(3-fluoro-4-iodophenyl)-4-(hydroxymethyl)pyrrolidin-2-one?
(4R)-1-(3-fluoro-4-iodophenyl)-4-(hydroxymethyl)pyrrolidin-2-one has a molecular weight of 335.12 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(3-fluoro-4-iodophenyl)-4-(hydroxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 71096950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).