ethyl 5-fluoro-2-oxofuro[2,3-h]chromene-8-carboxylate

C14H9FO5 — CID 15385144

IUPACethyl 5-fluoro-2-oxofuro[2,3-h]chromene-8-carboxylate
SMILESCCOC(=O)c1cc2c(cc(F)c3ccc(=O)oc32)o1
InChIInChI=1S/C14H9FO5/c1-2-18-14(17)11-5-8-10(19-11)6-9(15)7-3-4-12(16)20-13(7)8/h3-6H,2H2,1H3
InChIKeyJXZXYPZUACWKQK-UHFFFAOYSA-N
MW276.22 g/mol
LogP2.86
Rot. Bonds2

About ethyl 5-fluoro-2-oxofuro[2,3-h]chromene-8-carboxylate

ethyl 5-fluoro-2-oxofuro[2,3-h]chromene-8-carboxylate (PubChem CID 15385144) has the molecular formula C14H9FO5 and a molecular weight of 276.22 g/mol. Its IUPAC name is ethyl 5-fluoro-2-oxofuro[2,3-h]chromene-8-carboxylate.

Molecular Properties

Compound Nameethyl 5-fluoro-2-oxofuro[2,3-h]chromene-8-carboxylate
PubChem CID15385144
Molecular FormulaC14H9FO5
Molecular Weight276.22 g/mol
Exact Mass276.04
IUPAC Nameethyl 5-fluoro-2-oxofuro[2,3-h]chromene-8-carboxylate
SMILESCCOC(=O)c1cc2c(cc(F)c3ccc(=O)oc32)o1
InChIInChI=1S/C14H9FO5/c1-2-18-14(17)11-5-8-10(19-11)6-9(15)7-3-4-12(16)20-13(7)8/h3-6H,2H2,1H3
InChIKeyJXZXYPZUACWKQK-UHFFFAOYSA-N
XLogP2.86
TPSA69.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 5376802
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CID 119089265
ethyl 6-amino-7-hydroxy-4-oxochromene-2-carboxylate
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ethyl 6-fluoro-5-methoxy-1-benzofuran-2-carboxylate
CID 134180527
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ethyl benzo[e][1]benzofuran-2-carboxylate
CID 738036
ethyl 7-hydroxy-4-oxochromene-2-carboxylate;7-hydroxy-2-(hydroxymethyl)chromen-4-one
CID 160975514
ethyl 4-(2-aminoethyl)-1-benzofuran-2-carboxylate
CID 23049270
ethyl 6-chloro-1-oxoisochromene-3-carboxylate
CID 165441479
ethyl 5-bromo-7-fluoro-1-benzofuran-2-carboxylate
CID 70977027
ethyl 8-bromo-7-hydroxy-4-oxochromene-2-carboxylate
CID 628562

Frequently Asked Questions

What is the IUPAC name of ethyl 5-fluoro-2-oxofuro[2,3-h]chromene-8-carboxylate?
The IUPAC name of ethyl 5-fluoro-2-oxofuro[2,3-h]chromene-8-carboxylate (CID 15385144) is ethyl 5-fluoro-2-oxofuro[2,3-h]chromene-8-carboxylate.
What is the SMILES notation for ethyl 5-fluoro-2-oxofuro[2,3-h]chromene-8-carboxylate?
The canonical SMILES for ethyl 5-fluoro-2-oxofuro[2,3-h]chromene-8-carboxylate is CCOC(=O)c1cc2c(cc(F)c3ccc(=O)oc32)o1.
What is the InChIKey of ethyl 5-fluoro-2-oxofuro[2,3-h]chromene-8-carboxylate?
The InChIKey is JXZXYPZUACWKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FO5/c1-2-18-14(17)11-5-8-10(19-11)6-9(15)7-3-4-12(16)20-13(7)8/h3-6H,2H2,1H3.
What are the key properties of ethyl 5-fluoro-2-oxofuro[2,3-h]chromene-8-carboxylate?
ethyl 5-fluoro-2-oxofuro[2,3-h]chromene-8-carboxylate has a molecular weight of 276.22 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-fluoro-2-oxofuro[2,3-h]chromene-8-carboxylate is sourced from PubChem (CID 15385144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).