[2-(2-fluoroanilino)-2-oxoethyl] acetate

C10H10FNO3 — CID 532994

IUPAC[2-(2-fluoroanilino)-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)Nc1ccccc1F
InChIInChI=1S/C10H10FNO3/c1-7(13)15-6-10(14)12-9-5-3-2-4-8(9)11/h2-5H,6H2,1H3,(H,12,14)
InChIKeyACBRPOCVRODIGK-UHFFFAOYSA-N
MW211.19 g/mol
LogP1.33
Rot. Bonds3

About [2-(2-fluoroanilino)-2-oxoethyl] acetate

[2-(2-fluoroanilino)-2-oxoethyl] acetate (PubChem CID 532994) has the molecular formula C10H10FNO3 and a molecular weight of 211.19 g/mol. Its IUPAC name is [2-(2-fluoroanilino)-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-(2-fluoroanilino)-2-oxoethyl] acetate
PubChem CID532994
Molecular FormulaC10H10FNO3
Molecular Weight211.19 g/mol
Exact Mass211.06
IUPAC Name[2-(2-fluoroanilino)-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)Nc1ccccc1F
InChIInChI=1S/C10H10FNO3/c1-7(13)15-6-10(14)12-9-5-3-2-4-8(9)11/h2-5H,6H2,1H3,(H,12,14)
InChIKeyACBRPOCVRODIGK-UHFFFAOYSA-N
XLogP1.33
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.19
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2-fluoroanilino)-2-oxoethyl] acetate?
The IUPAC name of [2-(2-fluoroanilino)-2-oxoethyl] acetate (CID 532994) is [2-(2-fluoroanilino)-2-oxoethyl] acetate.
What is the SMILES notation for [2-(2-fluoroanilino)-2-oxoethyl] acetate?
The canonical SMILES for [2-(2-fluoroanilino)-2-oxoethyl] acetate is CC(=O)OCC(=O)Nc1ccccc1F.
What is the InChIKey of [2-(2-fluoroanilino)-2-oxoethyl] acetate?
The InChIKey is ACBRPOCVRODIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO3/c1-7(13)15-6-10(14)12-9-5-3-2-4-8(9)11/h2-5H,6H2,1H3,(H,12,14).
What are the key properties of [2-(2-fluoroanilino)-2-oxoethyl] acetate?
[2-(2-fluoroanilino)-2-oxoethyl] acetate has a molecular weight of 211.19 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluoroanilino)-2-oxoethyl] acetate is sourced from PubChem (CID 532994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).