5-amino-2-(3,4-difluorophenyl)-4-hydroxy-2-methylfuran-3-one

C11H9F2NO3 — CID 90082264

IUPAC5-amino-2-(3,4-difluorophenyl)-4-hydroxy-2-methylfuran-3-one
SMILESCC1(c2ccc(F)c(F)c2)OC(N)=C(O)C1=O
InChIInChI=1S/C11H9F2NO3/c1-11(9(16)8(15)10(14)17-11)5-2-3-6(12)7(13)4-5/h2-4,15H,14H2,1H3
InChIKeyQJADGHYRRDUAAV-UHFFFAOYSA-N
MW241.19 g/mol
LogP1.47
Rot. Bonds1

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

5-amino-2-(3,4-difluorophenyl)-4-hydroxy-2-methylfuran-3-one (PubChem CID 90082264) has the molecular formula C11H9F2NO3 and a molecular weight of 241.19 g/mol. Its IUPAC name is 5-amino-2-(3,4-difluorophenyl)-4-hydroxy-2-methylfuran-3-one.

Molecular Properties

Compound Name5-amino-2-(3,4-difluorophenyl)-4-hydroxy-2-methylfuran-3-one
PubChem CID90082264
Molecular FormulaC11H9F2NO3
Molecular Weight241.19 g/mol
Exact Mass241.06
IUPAC Name5-amino-2-(3,4-difluorophenyl)-4-hydroxy-2-methylfuran-3-one
SMILESCC1(c2ccc(F)c(F)c2)OC(N)=C(O)C1=O
InChIInChI=1S/C11H9F2NO3/c1-11(9(16)8(15)10(14)17-11)5-2-3-6(12)7(13)4-5/h2-4,15H,14H2,1H3
InChIKeyQJADGHYRRDUAAV-UHFFFAOYSA-N
XLogP1.47
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.19
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3,4-difluorophenyl)-4-hydroxy-2-methylfuran-3-one?
The IUPAC name of 5-amino-2-(3,4-difluorophenyl)-4-hydroxy-2-methylfuran-3-one (CID 90082264) is 5-amino-2-(3,4-difluorophenyl)-4-hydroxy-2-methylfuran-3-one.
What is the SMILES notation for 5-amino-2-(3,4-difluorophenyl)-4-hydroxy-2-methylfuran-3-one?
The canonical SMILES for 5-amino-2-(3,4-difluorophenyl)-4-hydroxy-2-methylfuran-3-one is CC1(c2ccc(F)c(F)c2)OC(N)=C(O)C1=O.
What is the InChIKey of 5-amino-2-(3,4-difluorophenyl)-4-hydroxy-2-methylfuran-3-one?
The InChIKey is QJADGHYRRDUAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2NO3/c1-11(9(16)8(15)10(14)17-11)5-2-3-6(12)7(13)4-5/h2-4,15H,14H2,1H3.
What are the key properties of 5-amino-2-(3,4-difluorophenyl)-4-hydroxy-2-methylfuran-3-one?
5-amino-2-(3,4-difluorophenyl)-4-hydroxy-2-methylfuran-3-one has a molecular weight of 241.19 g/mol, XLogP of 1.47, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3,4-difluorophenyl)-4-hydroxy-2-methylfuran-3-one is sourced from PubChem (CID 90082264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).