ethyl 2-(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetate

C12H12FNO3 — CID 127052459

IUPACethyl 2-(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetate
SMILESCCOC(=O)CC1C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C12H12FNO3/c1-2-17-11(15)6-9-8-5-7(13)3-4-10(8)14-12(9)16/h3-5,9H,2,6H2,1H3,(H,14,16)
InChIKeyUDLOFAZTBQRSEH-UHFFFAOYSA-N
MW237.23 g/mol
LogP1.81
Rot. Bonds3

About ethyl 2-(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetate

ethyl 2-(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetate (PubChem CID 127052459) has the molecular formula C12H12FNO3 and a molecular weight of 237.23 g/mol. Its IUPAC name is ethyl 2-(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetate
PubChem CID127052459
Molecular FormulaC12H12FNO3
Molecular Weight237.23 g/mol
Exact Mass237.08
IUPAC Nameethyl 2-(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetate
SMILESCCOC(=O)CC1C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C12H12FNO3/c1-2-17-11(15)6-9-8-5-7(13)3-4-10(8)14-12(9)16/h3-5,9H,2,6H2,1H3,(H,14,16)
InChIKeyUDLOFAZTBQRSEH-UHFFFAOYSA-N
XLogP1.81
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetate?
The IUPAC name of ethyl 2-(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetate (CID 127052459) is ethyl 2-(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetate.
What is the SMILES notation for ethyl 2-(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetate?
The canonical SMILES for ethyl 2-(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetate is CCOC(=O)CC1C(=O)Nc2ccc(F)cc21.
What is the InChIKey of ethyl 2-(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetate?
The InChIKey is UDLOFAZTBQRSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO3/c1-2-17-11(15)6-9-8-5-7(13)3-4-10(8)14-12(9)16/h3-5,9H,2,6H2,1H3,(H,14,16).
What are the key properties of ethyl 2-(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetate?
ethyl 2-(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetate has a molecular weight of 237.23 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetate is sourced from PubChem (CID 127052459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).