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

C12H10FNO4 — CID 90080732

IUPAC[2-amino-5-(4-fluorophenyl)-4-oxofuran-3-yl] acetate
SMILESCC(=O)OC1=C(N)OC(c2ccc(F)cc2)C1=O
InChIInChI=1S/C12H10FNO4/c1-6(15)17-11-9(16)10(18-12(11)14)7-2-4-8(13)5-3-7/h2-5,10H,14H2,1H3
InChIKeyMYZQZMITYJILEQ-UHFFFAOYSA-N
MW251.21 g/mol
LogP1.16
Rot. Bonds2

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

[2-amino-5-(4-fluorophenyl)-4-oxofuran-3-yl] acetate (PubChem CID 90080732) has the molecular formula C12H10FNO4 and a molecular weight of 251.21 g/mol. Its IUPAC name is [2-amino-5-(4-fluorophenyl)-4-oxofuran-3-yl] acetate.

Molecular Properties

Compound Name[2-amino-5-(4-fluorophenyl)-4-oxofuran-3-yl] acetate
PubChem CID90080732
Molecular FormulaC12H10FNO4
Molecular Weight251.21 g/mol
Exact Mass251.06
IUPAC Name[2-amino-5-(4-fluorophenyl)-4-oxofuran-3-yl] acetate
SMILESCC(=O)OC1=C(N)OC(c2ccc(F)cc2)C1=O
InChIInChI=1S/C12H10FNO4/c1-6(15)17-11-9(16)10(18-12(11)14)7-2-4-8(13)5-3-7/h2-5,10H,14H2,1H3
InChIKeyMYZQZMITYJILEQ-UHFFFAOYSA-N
XLogP1.16
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-amino-5-(4-fluorophenyl)-4-oxofuran-3-yl] acetate?
The IUPAC name of [2-amino-5-(4-fluorophenyl)-4-oxofuran-3-yl] acetate (CID 90080732) is [2-amino-5-(4-fluorophenyl)-4-oxofuran-3-yl] acetate.
What is the SMILES notation for [2-amino-5-(4-fluorophenyl)-4-oxofuran-3-yl] acetate?
The canonical SMILES for [2-amino-5-(4-fluorophenyl)-4-oxofuran-3-yl] acetate is CC(=O)OC1=C(N)OC(c2ccc(F)cc2)C1=O.
What is the InChIKey of [2-amino-5-(4-fluorophenyl)-4-oxofuran-3-yl] acetate?
The InChIKey is MYZQZMITYJILEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO4/c1-6(15)17-11-9(16)10(18-12(11)14)7-2-4-8(13)5-3-7/h2-5,10H,14H2,1H3.
What are the key properties of [2-amino-5-(4-fluorophenyl)-4-oxofuran-3-yl] acetate?
[2-amino-5-(4-fluorophenyl)-4-oxofuran-3-yl] acetate has a molecular weight of 251.21 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-5-(4-fluorophenyl)-4-oxofuran-3-yl] acetate is sourced from PubChem (CID 90080732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).