1-fluoro-2-hydroxy-2H-pyrrol-5-one

C4H4FNO2 — CID 101203562

IUPAC1-fluoro-2-hydroxy-2H-pyrrol-5-one
SMILESO=C1C=CC(O)N1F
InChIInChI=1S/C4H4FNO2/c5-6-3(7)1-2-4(6)8/h1-3,7H
InChIKeyTYBPDVDNMNWJLY-UHFFFAOYSA-N
MW117.08 g/mol
LogP-0.41
Rot. Bonds

About 1-fluoro-2-hydroxy-2H-pyrrol-5-one

1-fluoro-2-hydroxy-2H-pyrrol-5-one (PubChem CID 101203562) has the molecular formula C4H4FNO2 and a molecular weight of 117.08 g/mol. Its IUPAC name is 1-fluoro-2-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-fluoro-2-hydroxy-2H-pyrrol-5-one
PubChem CID101203562
Molecular FormulaC4H4FNO2
Molecular Weight117.08 g/mol
Exact Mass117.02
IUPAC Name1-fluoro-2-hydroxy-2H-pyrrol-5-one
SMILESO=C1C=CC(O)N1F
InChIInChI=1S/C4H4FNO2/c5-6-3(7)1-2-4(6)8/h1-3,7H
InChIKeyTYBPDVDNMNWJLY-UHFFFAOYSA-N
XLogP-0.41
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.08
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-hydroxy-2H-pyrrol-5-one?
The IUPAC name of 1-fluoro-2-hydroxy-2H-pyrrol-5-one (CID 101203562) is 1-fluoro-2-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for 1-fluoro-2-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for 1-fluoro-2-hydroxy-2H-pyrrol-5-one is O=C1C=CC(O)N1F.
What is the InChIKey of 1-fluoro-2-hydroxy-2H-pyrrol-5-one?
The InChIKey is TYBPDVDNMNWJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4FNO2/c5-6-3(7)1-2-4(6)8/h1-3,7H.
What are the key properties of 1-fluoro-2-hydroxy-2H-pyrrol-5-one?
1-fluoro-2-hydroxy-2H-pyrrol-5-one has a molecular weight of 117.08 g/mol, XLogP of -0.41, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 101203562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).