[2-(2,4-difluorophenyl)-2-oxoethyl] 3-phenylfuran-2-carboxylate

C19H12F2O4 — CID 24520544

IUPAC[2-(2,4-difluorophenyl)-2-oxoethyl] 3-phenylfuran-2-carboxylate
SMILESO=C(COC(=O)c1occc1-c1ccccc1)c1ccc(F)cc1F
InChIInChI=1S/C19H12F2O4/c20-13-6-7-15(16(21)10-13)17(22)11-25-19(23)18-14(8-9-24-18)12-4-2-1-3-5-12/h1-10H,11H2
InChIKeyFWJYRSBSWLNMDB-UHFFFAOYSA-N
MW342.30 g/mol
LogP4.26
Rot. Bonds5

About [2-(2,4-difluorophenyl)-2-oxoethyl] 3-phenylfuran-2-carboxylate

[2-(2,4-difluorophenyl)-2-oxoethyl] 3-phenylfuran-2-carboxylate (PubChem CID 24520544) has the molecular formula C19H12F2O4 and a molecular weight of 342.30 g/mol. Its IUPAC name is [2-(2,4-difluorophenyl)-2-oxoethyl] 3-phenylfuran-2-carboxylate.

Molecular Properties

Compound Name[2-(2,4-difluorophenyl)-2-oxoethyl] 3-phenylfuran-2-carboxylate
PubChem CID24520544
Molecular FormulaC19H12F2O4
Molecular Weight342.30 g/mol
Exact Mass342.07
IUPAC Name[2-(2,4-difluorophenyl)-2-oxoethyl] 3-phenylfuran-2-carboxylate
SMILESO=C(COC(=O)c1occc1-c1ccccc1)c1ccc(F)cc1F
InChIInChI=1S/C19H12F2O4/c20-13-6-7-15(16(21)10-13)17(22)11-25-19(23)18-14(8-9-24-18)12-4-2-1-3-5-12/h1-10H,11H2
InChIKeyFWJYRSBSWLNMDB-UHFFFAOYSA-N
XLogP4.26
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.30
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2,4-difluorophenyl)-2-oxoethyl] 3-phenylfuran-2-carboxylate?
The IUPAC name of [2-(2,4-difluorophenyl)-2-oxoethyl] 3-phenylfuran-2-carboxylate (CID 24520544) is [2-(2,4-difluorophenyl)-2-oxoethyl] 3-phenylfuran-2-carboxylate.
What is the SMILES notation for [2-(2,4-difluorophenyl)-2-oxoethyl] 3-phenylfuran-2-carboxylate?
The canonical SMILES for [2-(2,4-difluorophenyl)-2-oxoethyl] 3-phenylfuran-2-carboxylate is O=C(COC(=O)c1occc1-c1ccccc1)c1ccc(F)cc1F.
What is the InChIKey of [2-(2,4-difluorophenyl)-2-oxoethyl] 3-phenylfuran-2-carboxylate?
The InChIKey is FWJYRSBSWLNMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F2O4/c20-13-6-7-15(16(21)10-13)17(22)11-25-19(23)18-14(8-9-24-18)12-4-2-1-3-5-12/h1-10H,11H2.
What are the key properties of [2-(2,4-difluorophenyl)-2-oxoethyl] 3-phenylfuran-2-carboxylate?
[2-(2,4-difluorophenyl)-2-oxoethyl] 3-phenylfuran-2-carboxylate has a molecular weight of 342.30 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-difluorophenyl)-2-oxoethyl] 3-phenylfuran-2-carboxylate is sourced from PubChem (CID 24520544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).