3-fluoro-4-(2-hydroxyethyl)-1-(1-phenylethyl)pyrrolidin-2-one

C14H18FNO2 — CID 143715118

IUPAC3-fluoro-4-(2-hydroxyethyl)-1-(1-phenylethyl)pyrrolidin-2-one
SMILESCC(c1ccccc1)N1CC(CCO)C(F)C1=O
InChIInChI=1S/C14H18FNO2/c1-10(11-5-3-2-4-6-11)16-9-12(7-8-17)13(15)14(16)18/h2-6,10,12-13,17H,7-9H2,1H3
InChIKeyVKNAKEWPTIMJHN-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.93
Rot. Bonds4

About 3-fluoro-4-(2-hydroxyethyl)-1-(1-phenylethyl)pyrrolidin-2-one

3-fluoro-4-(2-hydroxyethyl)-1-(1-phenylethyl)pyrrolidin-2-one (PubChem CID 143715118) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 3-fluoro-4-(2-hydroxyethyl)-1-(1-phenylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-fluoro-4-(2-hydroxyethyl)-1-(1-phenylethyl)pyrrolidin-2-one
PubChem CID143715118
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name3-fluoro-4-(2-hydroxyethyl)-1-(1-phenylethyl)pyrrolidin-2-one
SMILESCC(c1ccccc1)N1CC(CCO)C(F)C1=O
InChIInChI=1S/C14H18FNO2/c1-10(11-5-3-2-4-6-11)16-9-12(7-8-17)13(15)14(16)18/h2-6,10,12-13,17H,7-9H2,1H3
InChIKeyVKNAKEWPTIMJHN-UHFFFAOYSA-N
XLogP1.93
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Benzyl-4-(hydroxymethyl)pyrrolidin-2-one
CID 178824
4-(Hydroxymethyl)-1-(2-phenylethyl)pyrrolidin-2-one
CID 295636
2-(4-Fluorophenyl)-1-(3-methylbutanoyl)pyrrolidine
CID 42938742
1-[2-(2-Fluorophenyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 50747003
1-[2-(3-Fluorophenyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 50747080
(3S,4S)-1-(2,4-difluorobenzyl)-4-(hydroxymethyl)-N,N-dimethyltetrahydro-1H-pyrrole-3-carboxamide
CID 110203724
1-Benzyl-5-(difluoromethyl)-5-hydroxypyrrolidin-2-one
CID 42646403
(3S)-1-benzyl-3-[(1R)-1-hydroxyethyl]pyrrolidin-2-one
CID 10889408
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-phenylethanone
CID 11096114
1-Benzyl-5-hydroxypyrrolidin-2-one
CID 11788761
N-(3-phenylpropionyl)-prolinol
CID 13632918
1-(2-Hydroxy-ethyl)-5-phenyl-2-pyrrolidinone
CID 13794785

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(2-hydroxyethyl)-1-(1-phenylethyl)pyrrolidin-2-one?
The IUPAC name of 3-fluoro-4-(2-hydroxyethyl)-1-(1-phenylethyl)pyrrolidin-2-one (CID 143715118) is 3-fluoro-4-(2-hydroxyethyl)-1-(1-phenylethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-fluoro-4-(2-hydroxyethyl)-1-(1-phenylethyl)pyrrolidin-2-one?
The canonical SMILES for 3-fluoro-4-(2-hydroxyethyl)-1-(1-phenylethyl)pyrrolidin-2-one is CC(c1ccccc1)N1CC(CCO)C(F)C1=O.
What is the InChIKey of 3-fluoro-4-(2-hydroxyethyl)-1-(1-phenylethyl)pyrrolidin-2-one?
The InChIKey is VKNAKEWPTIMJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-10(11-5-3-2-4-6-11)16-9-12(7-8-17)13(15)14(16)18/h2-6,10,12-13,17H,7-9H2,1H3.
What are the key properties of 3-fluoro-4-(2-hydroxyethyl)-1-(1-phenylethyl)pyrrolidin-2-one?
3-fluoro-4-(2-hydroxyethyl)-1-(1-phenylethyl)pyrrolidin-2-one has a molecular weight of 251.30 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(2-hydroxyethyl)-1-(1-phenylethyl)pyrrolidin-2-one is sourced from PubChem (CID 143715118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).