[2-amino-5-(2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate

C13H12FNO4 — CID 90080222

IUPAC[2-amino-5-(2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
SMILESCC(=O)OC1=C(N)OC(C)(c2ccccc2F)C1=O
InChIInChI=1S/C13H12FNO4/c1-7(16)18-10-11(17)13(2,19-12(10)15)8-5-3-4-6-9(8)14/h3-6H,15H2,1-2H3
InChIKeyDUUODSCGLVPHNS-UHFFFAOYSA-N
MW265.24 g/mol
LogP1.33
Rot. Bonds2

About [2-amino-5-(2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate

[2-amino-5-(2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate (PubChem CID 90080222) has the molecular formula C13H12FNO4 and a molecular weight of 265.24 g/mol. Its IUPAC name is [2-amino-5-(2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate.

Molecular Properties

Compound Name[2-amino-5-(2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
PubChem CID90080222
Molecular FormulaC13H12FNO4
Molecular Weight265.24 g/mol
Exact Mass265.08
IUPAC Name[2-amino-5-(2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
SMILESCC(=O)OC1=C(N)OC(C)(c2ccccc2F)C1=O
InChIInChI=1S/C13H12FNO4/c1-7(16)18-10-11(17)13(2,19-12(10)15)8-5-3-4-6-9(8)14/h3-6H,15H2,1-2H3
InChIKeyDUUODSCGLVPHNS-UHFFFAOYSA-N
XLogP1.33
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-amino-5-(2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate?
The IUPAC name of [2-amino-5-(2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate (CID 90080222) is [2-amino-5-(2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate.
What is the SMILES notation for [2-amino-5-(2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate?
The canonical SMILES for [2-amino-5-(2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate is CC(=O)OC1=C(N)OC(C)(c2ccccc2F)C1=O.
What is the InChIKey of [2-amino-5-(2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate?
The InChIKey is DUUODSCGLVPHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO4/c1-7(16)18-10-11(17)13(2,19-12(10)15)8-5-3-4-6-9(8)14/h3-6H,15H2,1-2H3.
What are the key properties of [2-amino-5-(2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate?
[2-amino-5-(2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate has a molecular weight of 265.24 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-5-(2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate is sourced from PubChem (CID 90080222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).