ethyl (2Z)-2-fluoro-2-(4-hydroxy-5-oxofuran-2-ylidene)acetate

C8H7FO5 — CID 135014961

IUPACethyl (2Z)-2-fluoro-2-(4-hydroxy-5-oxofuran-2-ylidene)acetate
SMILESCCOC(=O)/C(F)=C1\C=C(O)C(=O)O1
InChIInChI=1S/C8H7FO5/c1-2-13-8(12)6(9)5-3-4(10)7(11)14-5/h3,10H,2H2,1H3/b6-5-
InChIKeyXRTFXMAHVFBWOU-WAYWQWQTSA-N
MW202.14 g/mol
LogP0.73
Rot. Bonds2

About ethyl (2Z)-2-fluoro-2-(4-hydroxy-5-oxofuran-2-ylidene)acetate

ethyl (2Z)-2-fluoro-2-(4-hydroxy-5-oxofuran-2-ylidene)acetate (PubChem CID 135014961) has the molecular formula C8H7FO5 and a molecular weight of 202.14 g/mol. Its IUPAC name is ethyl (2Z)-2-fluoro-2-(4-hydroxy-5-oxofuran-2-ylidene)acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-fluoro-2-(4-hydroxy-5-oxofuran-2-ylidene)acetate
PubChem CID135014961
Molecular FormulaC8H7FO5
Molecular Weight202.14 g/mol
Exact Mass202.03
IUPAC Nameethyl (2Z)-2-fluoro-2-(4-hydroxy-5-oxofuran-2-ylidene)acetate
SMILESCCOC(=O)/C(F)=C1\C=C(O)C(=O)O1
InChIInChI=1S/C8H7FO5/c1-2-13-8(12)6(9)5-3-4(10)7(11)14-5/h3,10H,2H2,1H3/b6-5-
InChIKeyXRTFXMAHVFBWOU-WAYWQWQTSA-N
XLogP0.73
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.14
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-fluoro-2-(4-hydroxy-5-oxofuran-2-ylidene)acetate?
The IUPAC name of ethyl (2Z)-2-fluoro-2-(4-hydroxy-5-oxofuran-2-ylidene)acetate (CID 135014961) is ethyl (2Z)-2-fluoro-2-(4-hydroxy-5-oxofuran-2-ylidene)acetate.
What is the SMILES notation for ethyl (2Z)-2-fluoro-2-(4-hydroxy-5-oxofuran-2-ylidene)acetate?
The canonical SMILES for ethyl (2Z)-2-fluoro-2-(4-hydroxy-5-oxofuran-2-ylidene)acetate is CCOC(=O)/C(F)=C1\C=C(O)C(=O)O1.
What is the InChIKey of ethyl (2Z)-2-fluoro-2-(4-hydroxy-5-oxofuran-2-ylidene)acetate?
The InChIKey is XRTFXMAHVFBWOU-WAYWQWQTSA-N. The full InChI is InChI=1S/C8H7FO5/c1-2-13-8(12)6(9)5-3-4(10)7(11)14-5/h3,10H,2H2,1H3/b6-5-.
What are the key properties of ethyl (2Z)-2-fluoro-2-(4-hydroxy-5-oxofuran-2-ylidene)acetate?
ethyl (2Z)-2-fluoro-2-(4-hydroxy-5-oxofuran-2-ylidene)acetate has a molecular weight of 202.14 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-fluoro-2-(4-hydroxy-5-oxofuran-2-ylidene)acetate is sourced from PubChem (CID 135014961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).