4-(3-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one

C11H12FNO2 — CID 105462669

IUPAC4-(3-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
SMILESO=C1CC(CO)(c2cccc(F)c2)CN1
InChIInChI=1S/C11H12FNO2/c12-9-3-1-2-8(4-9)11(7-14)5-10(15)13-6-11/h1-4,14H,5-7H2,(H,13,15)
InChIKeyANATXLHNPHKWLU-UHFFFAOYSA-N
MW209.22 g/mol
LogP0.58
Rot. Bonds2

About 4-(3-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one

4-(3-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one (PubChem CID 105462669) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(3-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
PubChem CID105462669
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Name4-(3-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
SMILESO=C1CC(CO)(c2cccc(F)c2)CN1
InChIInChI=1S/C11H12FNO2/c12-9-3-1-2-8(4-9)11(7-14)5-10(15)13-6-11/h1-4,14H,5-7H2,(H,13,15)
InChIKeyANATXLHNPHKWLU-UHFFFAOYSA-N
XLogP0.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one?
The IUPAC name of 4-(3-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one (CID 105462669) is 4-(3-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(3-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one?
The canonical SMILES for 4-(3-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one is O=C1CC(CO)(c2cccc(F)c2)CN1.
What is the InChIKey of 4-(3-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one?
The InChIKey is ANATXLHNPHKWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c12-9-3-1-2-8(4-9)11(7-14)5-10(15)13-6-11/h1-4,14H,5-7H2,(H,13,15).
What are the key properties of 4-(3-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one?
4-(3-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one has a molecular weight of 209.22 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 105462669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).