3-(4-fluorophenyl)-3H-2-benzofuran-1-one

C14H9FO2 — CID 3810587

IUPAC3-(4-fluorophenyl)-3H-2-benzofuran-1-one
SMILESO=C1OC(c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C14H9FO2/c15-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)14(16)17-13/h1-8,13H
InChIKeyIVDVHTLSKUEUPJ-UHFFFAOYSA-N
MW228.22 g/mol
LogP3.09
Rot. Bonds1

About 3-(4-fluorophenyl)-3H-2-benzofuran-1-one

3-(4-fluorophenyl)-3H-2-benzofuran-1-one (PubChem CID 3810587) has the molecular formula C14H9FO2 and a molecular weight of 228.22 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-3H-2-benzofuran-1-one
PubChem CID3810587
Molecular FormulaC14H9FO2
Molecular Weight228.22 g/mol
Exact Mass228.06
IUPAC Name3-(4-fluorophenyl)-3H-2-benzofuran-1-one
SMILESO=C1OC(c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C14H9FO2/c15-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)14(16)17-13/h1-8,13H
InChIKeyIVDVHTLSKUEUPJ-UHFFFAOYSA-N
XLogP3.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-3H-2-benzofuran-1-one?
The IUPAC name of 3-(4-fluorophenyl)-3H-2-benzofuran-1-one (CID 3810587) is 3-(4-fluorophenyl)-3H-2-benzofuran-1-one.
What is the SMILES notation for 3-(4-fluorophenyl)-3H-2-benzofuran-1-one?
The canonical SMILES for 3-(4-fluorophenyl)-3H-2-benzofuran-1-one is O=C1OC(c2ccc(F)cc2)c2ccccc21.
What is the InChIKey of 3-(4-fluorophenyl)-3H-2-benzofuran-1-one?
The InChIKey is IVDVHTLSKUEUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FO2/c15-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)14(16)17-13/h1-8,13H.
What are the key properties of 3-(4-fluorophenyl)-3H-2-benzofuran-1-one?
3-(4-fluorophenyl)-3H-2-benzofuran-1-one has a molecular weight of 228.22 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-3H-2-benzofuran-1-one is sourced from PubChem (CID 3810587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).