5-amino-2-(2,5-difluorophenyl)-4-hydroxyfuran-3-one

C10H7F2NO3 — CID 90080274

IUPAC5-amino-2-(2,5-difluorophenyl)-4-hydroxyfuran-3-one
SMILESNC1=C(O)C(=O)C(c2cc(F)ccc2F)O1
InChIInChI=1S/C10H7F2NO3/c11-4-1-2-6(12)5(3-4)9-7(14)8(15)10(13)16-9/h1-3,9,15H,13H2
InChIKeyOBDZOSCQCBSPQR-UHFFFAOYSA-N
MW227.17 g/mol
LogP1.29
Rot. Bonds1

About 5-amino-2-(2,5-difluorophenyl)-4-hydroxyfuran-3-one

5-amino-2-(2,5-difluorophenyl)-4-hydroxyfuran-3-one (PubChem CID 90080274) has the molecular formula C10H7F2NO3 and a molecular weight of 227.17 g/mol. Its IUPAC name is 5-amino-2-(2,5-difluorophenyl)-4-hydroxyfuran-3-one.

Molecular Properties

Compound Name5-amino-2-(2,5-difluorophenyl)-4-hydroxyfuran-3-one
PubChem CID90080274
Molecular FormulaC10H7F2NO3
Molecular Weight227.17 g/mol
Exact Mass227.04
IUPAC Name5-amino-2-(2,5-difluorophenyl)-4-hydroxyfuran-3-one
SMILESNC1=C(O)C(=O)C(c2cc(F)ccc2F)O1
InChIInChI=1S/C10H7F2NO3/c11-4-1-2-6(12)5(3-4)9-7(14)8(15)10(13)16-9/h1-3,9,15H,13H2
InChIKeyOBDZOSCQCBSPQR-UHFFFAOYSA-N
XLogP1.29
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.17
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2,5-difluorophenyl)-4-hydroxyfuran-3-one?
The IUPAC name of 5-amino-2-(2,5-difluorophenyl)-4-hydroxyfuran-3-one (CID 90080274) is 5-amino-2-(2,5-difluorophenyl)-4-hydroxyfuran-3-one.
What is the SMILES notation for 5-amino-2-(2,5-difluorophenyl)-4-hydroxyfuran-3-one?
The canonical SMILES for 5-amino-2-(2,5-difluorophenyl)-4-hydroxyfuran-3-one is NC1=C(O)C(=O)C(c2cc(F)ccc2F)O1.
What is the InChIKey of 5-amino-2-(2,5-difluorophenyl)-4-hydroxyfuran-3-one?
The InChIKey is OBDZOSCQCBSPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2NO3/c11-4-1-2-6(12)5(3-4)9-7(14)8(15)10(13)16-9/h1-3,9,15H,13H2.
What are the key properties of 5-amino-2-(2,5-difluorophenyl)-4-hydroxyfuran-3-one?
5-amino-2-(2,5-difluorophenyl)-4-hydroxyfuran-3-one has a molecular weight of 227.17 g/mol, XLogP of 1.29, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2,5-difluorophenyl)-4-hydroxyfuran-3-one is sourced from PubChem (CID 90080274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).