5-amino-2-(4-fluorophenyl)-4-hydroxyfuran-3-one

C10H8FNO3 — CID 82045475

IUPAC5-amino-2-(4-fluorophenyl)-4-hydroxyfuran-3-one
SMILESNC1=C(O)C(=O)C(c2ccc(F)cc2)O1
InChIInChI=1S/C10H8FNO3/c11-6-3-1-5(2-4-6)9-7(13)8(14)10(12)15-9/h1-4,9,14H,12H2
InChIKeyAEZZUTLGJQLKGU-UHFFFAOYSA-N
MW209.18 g/mol
LogP1.15
Rot. Bonds1

About 5-amino-2-(4-fluorophenyl)-4-hydroxyfuran-3-one

5-amino-2-(4-fluorophenyl)-4-hydroxyfuran-3-one (PubChem CID 82045475) has the molecular formula C10H8FNO3 and a molecular weight of 209.18 g/mol. Its IUPAC name is 5-amino-2-(4-fluorophenyl)-4-hydroxyfuran-3-one.

Molecular Properties

Compound Name5-amino-2-(4-fluorophenyl)-4-hydroxyfuran-3-one
PubChem CID82045475
Molecular FormulaC10H8FNO3
Molecular Weight209.18 g/mol
Exact Mass209.05
IUPAC Name5-amino-2-(4-fluorophenyl)-4-hydroxyfuran-3-one
SMILESNC1=C(O)C(=O)C(c2ccc(F)cc2)O1
InChIInChI=1S/C10H8FNO3/c11-6-3-1-5(2-4-6)9-7(13)8(14)10(12)15-9/h1-4,9,14H,12H2
InChIKeyAEZZUTLGJQLKGU-UHFFFAOYSA-N
XLogP1.15
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.18
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-fluorophenyl)-4-hydroxyfuran-3-one?
The IUPAC name of 5-amino-2-(4-fluorophenyl)-4-hydroxyfuran-3-one (CID 82045475) is 5-amino-2-(4-fluorophenyl)-4-hydroxyfuran-3-one.
What is the SMILES notation for 5-amino-2-(4-fluorophenyl)-4-hydroxyfuran-3-one?
The canonical SMILES for 5-amino-2-(4-fluorophenyl)-4-hydroxyfuran-3-one is NC1=C(O)C(=O)C(c2ccc(F)cc2)O1.
What is the InChIKey of 5-amino-2-(4-fluorophenyl)-4-hydroxyfuran-3-one?
The InChIKey is AEZZUTLGJQLKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO3/c11-6-3-1-5(2-4-6)9-7(13)8(14)10(12)15-9/h1-4,9,14H,12H2.
What are the key properties of 5-amino-2-(4-fluorophenyl)-4-hydroxyfuran-3-one?
5-amino-2-(4-fluorophenyl)-4-hydroxyfuran-3-one has a molecular weight of 209.18 g/mol, XLogP of 1.15, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-fluorophenyl)-4-hydroxyfuran-3-one is sourced from PubChem (CID 82045475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).