ethyl 2-fluoro-2-(7-fluoro-5-methyl-2,3-dioxoindol-1-yl)acetate

C13H11F2NO4 — CID 81297311

IUPACethyl 2-fluoro-2-(7-fluoro-5-methyl-2,3-dioxoindol-1-yl)acetate
SMILESCCOC(=O)C(F)N1C(=O)C(=O)c2cc(C)cc(F)c21
InChIInChI=1S/C13H11F2NO4/c1-3-20-13(19)11(15)16-9-7(10(17)12(16)18)4-6(2)5-8(9)14/h4-5,11H,3H2,1-2H3
InChIKeyYICZVXOWLLOHMX-UHFFFAOYSA-N
MW283.23 g/mol
LogP1.52
Rot. Bonds3

About ethyl 2-fluoro-2-(7-fluoro-5-methyl-2,3-dioxoindol-1-yl)acetate

ethyl 2-fluoro-2-(7-fluoro-5-methyl-2,3-dioxoindol-1-yl)acetate (PubChem CID 81297311) has the molecular formula C13H11F2NO4 and a molecular weight of 283.23 g/mol. Its IUPAC name is ethyl 2-fluoro-2-(7-fluoro-5-methyl-2,3-dioxoindol-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-(7-fluoro-5-methyl-2,3-dioxoindol-1-yl)acetate
PubChem CID81297311
Molecular FormulaC13H11F2NO4
Molecular Weight283.23 g/mol
Exact Mass283.07
IUPAC Nameethyl 2-fluoro-2-(7-fluoro-5-methyl-2,3-dioxoindol-1-yl)acetate
SMILESCCOC(=O)C(F)N1C(=O)C(=O)c2cc(C)cc(F)c21
InChIInChI=1S/C13H11F2NO4/c1-3-20-13(19)11(15)16-9-7(10(17)12(16)18)4-6(2)5-8(9)14/h4-5,11H,3H2,1-2H3
InChIKeyYICZVXOWLLOHMX-UHFFFAOYSA-N
XLogP1.52
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.23
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

7-fluoro-5-methyl-1-(3-oxopentan-2-yl)indole-2,3-dione
CID 64865870
1-(2,3-dihydroxypropyl)-7-fluoro-5-methylindole-2,3-dione
CID 82850929
7-fluoro-5-methyl-1-(2-propylsulfonylethyl)indole-2,3-dione
CID 106726077
N-tert-butyl-2-(7-fluoro-5-methyl-2,3-dioxoindol-1-yl)acetamide
CID 61355002
7-fluoro-5-methyl-1-[2-(propylaminomethyl)prop-2-enyl]indole-2,3-dione
CID 103072215
N-(cyclopropylmethyl)-2-(7-fluoro-5-methyl-2,3-dioxoindol-1-yl)acetamide
CID 61356957
7-fluoro-5-methyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]indole-2,3-dione
CID 103072216
7-fluoro-5-methyl-1-(2-oxo-2-thiophen-2-ylethyl)indole-2,3-dione
CID 62023101
7-fluoro-5-methyl-1-(2-pyrazol-1-ylethyl)indole-2,3-dione
CID 61494575
7-fluoro-5-methyl-1-[3-(propan-2-ylamino)propyl]indole-2,3-dione
CID 61388321
ethyl 2-(2,5-dioxo-4-phenylimidazolidin-1-yl)-2-fluoroacetate
CID 101045340
ethyl 2-(5,6-difluoro-2,3-dioxoindol-1-yl)acetate
CID 80746979

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-(7-fluoro-5-methyl-2,3-dioxoindol-1-yl)acetate?
The IUPAC name of ethyl 2-fluoro-2-(7-fluoro-5-methyl-2,3-dioxoindol-1-yl)acetate (CID 81297311) is ethyl 2-fluoro-2-(7-fluoro-5-methyl-2,3-dioxoindol-1-yl)acetate.
What is the SMILES notation for ethyl 2-fluoro-2-(7-fluoro-5-methyl-2,3-dioxoindol-1-yl)acetate?
The canonical SMILES for ethyl 2-fluoro-2-(7-fluoro-5-methyl-2,3-dioxoindol-1-yl)acetate is CCOC(=O)C(F)N1C(=O)C(=O)c2cc(C)cc(F)c21.
What is the InChIKey of ethyl 2-fluoro-2-(7-fluoro-5-methyl-2,3-dioxoindol-1-yl)acetate?
The InChIKey is YICZVXOWLLOHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO4/c1-3-20-13(19)11(15)16-9-7(10(17)12(16)18)4-6(2)5-8(9)14/h4-5,11H,3H2,1-2H3.
What are the key properties of ethyl 2-fluoro-2-(7-fluoro-5-methyl-2,3-dioxoindol-1-yl)acetate?
ethyl 2-fluoro-2-(7-fluoro-5-methyl-2,3-dioxoindol-1-yl)acetate has a molecular weight of 283.23 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-(7-fluoro-5-methyl-2,3-dioxoindol-1-yl)acetate is sourced from PubChem (CID 81297311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).