5-[4-(3-fluorophenyl)-3-hydroxybutyl]pyrrol-2-one

C14H14FNO2 — CID 141051948

IUPAC5-[4-(3-fluorophenyl)-3-hydroxybutyl]pyrrol-2-one
SMILESO=C1C=CC(CCC(O)Cc2cccc(F)c2)=N1
InChIInChI=1S/C14H14FNO2/c15-11-3-1-2-10(8-11)9-13(17)6-4-12-5-7-14(18)16-12/h1-3,5,7-8,13,17H,4,6,9H2
InChIKeyMLHZWNUOIIGNSI-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.05
Rot. Bonds5

About 5-[4-(3-fluorophenyl)-3-hydroxybutyl]pyrrol-2-one

5-[4-(3-fluorophenyl)-3-hydroxybutyl]pyrrol-2-one (PubChem CID 141051948) has the molecular formula C14H14FNO2 and a molecular weight of 247.27 g/mol. Its IUPAC name is 5-[4-(3-fluorophenyl)-3-hydroxybutyl]pyrrol-2-one.

Molecular Properties

Compound Name5-[4-(3-fluorophenyl)-3-hydroxybutyl]pyrrol-2-one
PubChem CID141051948
Molecular FormulaC14H14FNO2
Molecular Weight247.27 g/mol
Exact Mass247.10
IUPAC Name5-[4-(3-fluorophenyl)-3-hydroxybutyl]pyrrol-2-one
SMILESO=C1C=CC(CCC(O)Cc2cccc(F)c2)=N1
InChIInChI=1S/C14H14FNO2/c15-11-3-1-2-10(8-11)9-13(17)6-4-12-5-7-14(18)16-12/h1-3,5,7-8,13,17H,4,6,9H2
InChIKeyMLHZWNUOIIGNSI-UHFFFAOYSA-N
XLogP2.05
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(3-fluorophenyl)-5-methoxyhexan-2-ol
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Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-fluorophenyl)-3-hydroxybutyl]pyrrol-2-one?
The IUPAC name of 5-[4-(3-fluorophenyl)-3-hydroxybutyl]pyrrol-2-one (CID 141051948) is 5-[4-(3-fluorophenyl)-3-hydroxybutyl]pyrrol-2-one.
What is the SMILES notation for 5-[4-(3-fluorophenyl)-3-hydroxybutyl]pyrrol-2-one?
The canonical SMILES for 5-[4-(3-fluorophenyl)-3-hydroxybutyl]pyrrol-2-one is O=C1C=CC(CCC(O)Cc2cccc(F)c2)=N1.
What is the InChIKey of 5-[4-(3-fluorophenyl)-3-hydroxybutyl]pyrrol-2-one?
The InChIKey is MLHZWNUOIIGNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2/c15-11-3-1-2-10(8-11)9-13(17)6-4-12-5-7-14(18)16-12/h1-3,5,7-8,13,17H,4,6,9H2.
What are the key properties of 5-[4-(3-fluorophenyl)-3-hydroxybutyl]pyrrol-2-one?
5-[4-(3-fluorophenyl)-3-hydroxybutyl]pyrrol-2-one has a molecular weight of 247.27 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-fluorophenyl)-3-hydroxybutyl]pyrrol-2-one is sourced from PubChem (CID 141051948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).