ethyl 2-fluoro-2-oxoethaneperoxoate;oxirane-2,3-dione;pyridine

C11H10FNO7 — CID 141421808

IUPACethyl 2-fluoro-2-oxoethaneperoxoate;oxirane-2,3-dione;pyridine
SMILESCCOOC(=O)C(=O)F.O=c1oc1=O.c1ccncc1
InChIInChI=1S/C5H5N.C4H5FO4.C2O3/c1-2-4-6-5-3-1;1-2-8-9-4(7)3(5)6;3-1-2(4)5-1/h1-5H;2H2,1H3;
InChIKeyLYEWDJQGYJUESL-UHFFFAOYSA-N
MW287.20 g/mol
LogP-0.07
Rot. Bonds3

About ethyl 2-fluoro-2-oxoethaneperoxoate;oxirane-2,3-dione;pyridine

ethyl 2-fluoro-2-oxoethaneperoxoate;oxirane-2,3-dione;pyridine (PubChem CID 141421808) has the molecular formula C11H10FNO7 and a molecular weight of 287.20 g/mol. Its IUPAC name is ethyl 2-fluoro-2-oxoethaneperoxoate;oxirane-2,3-dione;pyridine.

Molecular Properties

Compound Nameethyl 2-fluoro-2-oxoethaneperoxoate;oxirane-2,3-dione;pyridine
PubChem CID141421808
Molecular FormulaC11H10FNO7
Molecular Weight287.20 g/mol
Exact Mass287.04
IUPAC Nameethyl 2-fluoro-2-oxoethaneperoxoate;oxirane-2,3-dione;pyridine
SMILESCCOOC(=O)C(=O)F.O=c1oc1=O.c1ccncc1
InChIInChI=1S/C5H5N.C4H5FO4.C2O3/c1-2-4-6-5-3-1;1-2-8-9-4(7)3(5)6;3-1-2(4)5-1/h1-5H;2H2,1H3;
InChIKeyLYEWDJQGYJUESL-UHFFFAOYSA-N
XLogP-0.07
TPSA112.77 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-oxoethaneperoxoate;oxirane-2,3-dione;pyridine?
The IUPAC name of ethyl 2-fluoro-2-oxoethaneperoxoate;oxirane-2,3-dione;pyridine (CID 141421808) is ethyl 2-fluoro-2-oxoethaneperoxoate;oxirane-2,3-dione;pyridine.
What is the SMILES notation for ethyl 2-fluoro-2-oxoethaneperoxoate;oxirane-2,3-dione;pyridine?
The canonical SMILES for ethyl 2-fluoro-2-oxoethaneperoxoate;oxirane-2,3-dione;pyridine is CCOOC(=O)C(=O)F.O=c1oc1=O.c1ccncc1.
What is the InChIKey of ethyl 2-fluoro-2-oxoethaneperoxoate;oxirane-2,3-dione;pyridine?
The InChIKey is LYEWDJQGYJUESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.C4H5FO4.C2O3/c1-2-4-6-5-3-1;1-2-8-9-4(7)3(5)6;3-1-2(4)5-1/h1-5H;2H2,1H3;.
What are the key properties of ethyl 2-fluoro-2-oxoethaneperoxoate;oxirane-2,3-dione;pyridine?
ethyl 2-fluoro-2-oxoethaneperoxoate;oxirane-2,3-dione;pyridine has a molecular weight of 287.20 g/mol, XLogP of -0.07, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-oxoethaneperoxoate;oxirane-2,3-dione;pyridine is sourced from PubChem (CID 141421808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).