[2-(4-fluorophenyl)-2-oxoethyl] furan-2-carboxylate

C13H9FO4 — CID 782038

IUPAC[2-(4-fluorophenyl)-2-oxoethyl] furan-2-carboxylate
SMILESO=C(COC(=O)c1ccco1)c1ccc(F)cc1
InChIInChI=1S/C13H9FO4/c14-10-5-3-9(4-6-10)11(15)8-18-13(16)12-2-1-7-17-12/h1-7H,8H2
InChIKeyLWDYKIGXQGWWED-UHFFFAOYSA-N
MW248.21 g/mol
LogP2.46
Rot. Bonds4

About [2-(4-fluorophenyl)-2-oxoethyl] furan-2-carboxylate

[2-(4-fluorophenyl)-2-oxoethyl] furan-2-carboxylate (PubChem CID 782038) has the molecular formula C13H9FO4 and a molecular weight of 248.21 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-2-oxoethyl] furan-2-carboxylate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-2-oxoethyl] furan-2-carboxylate
PubChem CID782038
Molecular FormulaC13H9FO4
Molecular Weight248.21 g/mol
Exact Mass248.05
IUPAC Name[2-(4-fluorophenyl)-2-oxoethyl] furan-2-carboxylate
SMILESO=C(COC(=O)c1ccco1)c1ccc(F)cc1
InChIInChI=1S/C13H9FO4/c14-10-5-3-9(4-6-10)11(15)8-18-13(16)12-2-1-7-17-12/h1-7H,8H2
InChIKeyLWDYKIGXQGWWED-UHFFFAOYSA-N
XLogP2.46
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] furan-2-carboxylate?
The IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] furan-2-carboxylate (CID 782038) is [2-(4-fluorophenyl)-2-oxoethyl] furan-2-carboxylate.
What is the SMILES notation for [2-(4-fluorophenyl)-2-oxoethyl] furan-2-carboxylate?
The canonical SMILES for [2-(4-fluorophenyl)-2-oxoethyl] furan-2-carboxylate is O=C(COC(=O)c1ccco1)c1ccc(F)cc1.
What is the InChIKey of [2-(4-fluorophenyl)-2-oxoethyl] furan-2-carboxylate?
The InChIKey is LWDYKIGXQGWWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FO4/c14-10-5-3-9(4-6-10)11(15)8-18-13(16)12-2-1-7-17-12/h1-7H,8H2.
What are the key properties of [2-(4-fluorophenyl)-2-oxoethyl] furan-2-carboxylate?
[2-(4-fluorophenyl)-2-oxoethyl] furan-2-carboxylate has a molecular weight of 248.21 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-2-oxoethyl] furan-2-carboxylate is sourced from PubChem (CID 782038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).