ethyl 2-(5-amino-3,3-difluoro-2-oxoindol-1-yl)acetate

C12H12F2N2O3 — CID 119053189

IUPACethyl 2-(5-amino-3,3-difluoro-2-oxoindol-1-yl)acetate
SMILESCCOC(=O)CN1C(=O)C(F)(F)c2cc(N)ccc21
InChIInChI=1S/C12H12F2N2O3/c1-2-19-10(17)6-16-9-4-3-7(15)5-8(9)12(13,14)11(16)18/h3-5H,2,6,15H2,1H3
InChIKeyAVBMFXQSIUHVKT-UHFFFAOYSA-N
MW270.24 g/mol
LogP1.27
Rot. Bonds3

About ethyl 2-(5-amino-3,3-difluoro-2-oxoindol-1-yl)acetate

ethyl 2-(5-amino-3,3-difluoro-2-oxoindol-1-yl)acetate (PubChem CID 119053189) has the molecular formula C12H12F2N2O3 and a molecular weight of 270.24 g/mol. Its IUPAC name is ethyl 2-(5-amino-3,3-difluoro-2-oxoindol-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-amino-3,3-difluoro-2-oxoindol-1-yl)acetate
PubChem CID119053189
Molecular FormulaC12H12F2N2O3
Molecular Weight270.24 g/mol
Exact Mass270.08
IUPAC Nameethyl 2-(5-amino-3,3-difluoro-2-oxoindol-1-yl)acetate
SMILESCCOC(=O)CN1C(=O)C(F)(F)c2cc(N)ccc21
InChIInChI=1S/C12H12F2N2O3/c1-2-19-10(17)6-16-9-4-3-7(15)5-8(9)12(13,14)11(16)18/h3-5H,2,6,15H2,1H3
InChIKeyAVBMFXQSIUHVKT-UHFFFAOYSA-N
XLogP1.27
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-Amino-1-methyl-2-oxoindoline
CID 22692470
5-Amino-1-ethylindolin-2-one
CID 22692471
7ZX8889Bhs
CID 11609163
N-(1-ethyl-2-oxoindolin-5-yl)-2-(4-fluorophenyl)acetamide
CID 41683060
Methyl (2-oxoindolin-5-yl)carbamate
CID 40805098
2-methoxy-N-(2-oxoindolin-5-yl)acetamide
CID 41683650
ethyl 2-(2-oxo-2,3-dihydro-1H-indol-1-yl)acetate
CID 300802
5-amino-1-ethyl-2,3-dihydro-1H-indol-2-one hydrochloride
CID 50988227
5-amino-1-methyl-2,3-dihydro-1H-indol-2-one hydrochloride
CID 86812306
Methyl 2-{[1-(5-fluoropentyl)-3-methyl-1 h-indol-3-ylcarbonyl]amino}butyrate
CID 129876875
2-methoxy-N-(1-methyl-2-oxo-2,3-dihydro-1H-indol-5-yl)acetamide
CID 16820461
N-(1-ethyl-2-oxoindolin-5-yl)cyclopropanecarboxamide
CID 40805062

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-amino-3,3-difluoro-2-oxoindol-1-yl)acetate?
The IUPAC name of ethyl 2-(5-amino-3,3-difluoro-2-oxoindol-1-yl)acetate (CID 119053189) is ethyl 2-(5-amino-3,3-difluoro-2-oxoindol-1-yl)acetate.
What is the SMILES notation for ethyl 2-(5-amino-3,3-difluoro-2-oxoindol-1-yl)acetate?
The canonical SMILES for ethyl 2-(5-amino-3,3-difluoro-2-oxoindol-1-yl)acetate is CCOC(=O)CN1C(=O)C(F)(F)c2cc(N)ccc21.
What is the InChIKey of ethyl 2-(5-amino-3,3-difluoro-2-oxoindol-1-yl)acetate?
The InChIKey is AVBMFXQSIUHVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O3/c1-2-19-10(17)6-16-9-4-3-7(15)5-8(9)12(13,14)11(16)18/h3-5H,2,6,15H2,1H3.
What are the key properties of ethyl 2-(5-amino-3,3-difluoro-2-oxoindol-1-yl)acetate?
ethyl 2-(5-amino-3,3-difluoro-2-oxoindol-1-yl)acetate has a molecular weight of 270.24 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-amino-3,3-difluoro-2-oxoindol-1-yl)acetate is sourced from PubChem (CID 119053189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).