5-(4-fluorophenyl)-1-(2-hydroxyethyl)pyrrolidin-2-one

C12H14FNO2 — CID 71652003

IUPAC5-(4-fluorophenyl)-1-(2-hydroxyethyl)pyrrolidin-2-one
SMILESO=C1CCC(c2ccc(F)cc2)N1CCO
InChIInChI=1S/C12H14FNO2/c13-10-3-1-9(2-4-10)11-5-6-12(16)14(11)7-8-15/h1-4,11,15H,5-8H2
InChIKeyIQWMSJRIVHXQCF-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.48
Rot. Bonds3

About 5-(4-fluorophenyl)-1-(2-hydroxyethyl)pyrrolidin-2-one

5-(4-fluorophenyl)-1-(2-hydroxyethyl)pyrrolidin-2-one (PubChem CID 71652003) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-1-(2-hydroxyethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-1-(2-hydroxyethyl)pyrrolidin-2-one
PubChem CID71652003
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name5-(4-fluorophenyl)-1-(2-hydroxyethyl)pyrrolidin-2-one
SMILESO=C1CCC(c2ccc(F)cc2)N1CCO
InChIInChI=1S/C12H14FNO2/c13-10-3-1-9(2-4-10)11-5-6-12(16)14(11)7-8-15/h1-4,11,15H,5-8H2
InChIKeyIQWMSJRIVHXQCF-UHFFFAOYSA-N
XLogP1.48
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-hydroxyethyl)-5-(4-propan-2-ylphenyl)pyrrolidin-2-one
CID 176647651
1-[(3,5-difluorophenyl)methyl]-5-(4-methoxyphenyl)pyrrolidin-2-one
CID 91888366
5-(4-fluorophenyl)-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 134691416
1-(aminomethyl)-5-phenylpyrrolidin-2-one
CID 23348574
(5S)-1-[(1R)-2-chloro-1-phenylethyl]-5-(4-fluorophenyl)pyrrolidin-2-one
CID 146633652
(5R)-5-(aminomethyl)-1-(2-hydroxyethyl)pyrrolidin-2-one
CID 96680847
1-ethyl-5-(4-methoxyphenyl)pyrrolidin-2-one
CID 141398583
(2R,3R)-N,N-diethyl-2-(4-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 97457688
6-(4-fluorophenyl)-1-methyl-1,3-diazinan-2-one
CID 86649305
5-acetyl-6-(4-fluorophenyl)-1-methylpiperidin-2-one
CID 18715100
(5S)-1-(hydroxymethyl)-5-pyridin-3-ylpyrrolidin-2-one
CID 25201488
1-(2-hydroxyethyl)-5-(4-methoxyphenyl)imidazolidin-2-one
CID 105497638

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-1-(2-hydroxyethyl)pyrrolidin-2-one?
The IUPAC name of 5-(4-fluorophenyl)-1-(2-hydroxyethyl)pyrrolidin-2-one (CID 71652003) is 5-(4-fluorophenyl)-1-(2-hydroxyethyl)pyrrolidin-2-one.
What is the SMILES notation for 5-(4-fluorophenyl)-1-(2-hydroxyethyl)pyrrolidin-2-one?
The canonical SMILES for 5-(4-fluorophenyl)-1-(2-hydroxyethyl)pyrrolidin-2-one is O=C1CCC(c2ccc(F)cc2)N1CCO.
What is the InChIKey of 5-(4-fluorophenyl)-1-(2-hydroxyethyl)pyrrolidin-2-one?
The InChIKey is IQWMSJRIVHXQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c13-10-3-1-9(2-4-10)11-5-6-12(16)14(11)7-8-15/h1-4,11,15H,5-8H2.
What are the key properties of 5-(4-fluorophenyl)-1-(2-hydroxyethyl)pyrrolidin-2-one?
5-(4-fluorophenyl)-1-(2-hydroxyethyl)pyrrolidin-2-one has a molecular weight of 223.25 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-1-(2-hydroxyethyl)pyrrolidin-2-one is sourced from PubChem (CID 71652003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).