3-fluoro-3-phenyl-1-benzofuran-2-one

C14H9FO2 — CID 102110885

IUPAC3-fluoro-3-phenyl-1-benzofuran-2-one
SMILESO=C1Oc2ccccc2C1(F)c1ccccc1
InChIInChI=1S/C14H9FO2/c15-14(10-6-2-1-3-7-10)11-8-4-5-9-12(11)17-13(14)16/h1-9H
InChIKeyRWRHRYVFAHRRMB-UHFFFAOYSA-N
MW228.22 g/mol
LogP2.82
Rot. Bonds1

About 3-fluoro-3-phenyl-1-benzofuran-2-one

3-fluoro-3-phenyl-1-benzofuran-2-one (PubChem CID 102110885) has the molecular formula C14H9FO2 and a molecular weight of 228.22 g/mol. Its IUPAC name is 3-fluoro-3-phenyl-1-benzofuran-2-one.

Molecular Properties

Compound Name3-fluoro-3-phenyl-1-benzofuran-2-one
PubChem CID102110885
Molecular FormulaC14H9FO2
Molecular Weight228.22 g/mol
Exact Mass228.06
IUPAC Name3-fluoro-3-phenyl-1-benzofuran-2-one
SMILESO=C1Oc2ccccc2C1(F)c1ccccc1
InChIInChI=1S/C14H9FO2/c15-14(10-6-2-1-3-7-10)11-8-4-5-9-12(11)17-13(14)16/h1-9H
InChIKeyRWRHRYVFAHRRMB-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-fluoro-3-phenyl-1-benzofuran-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-phenyl-1-benzofuran-2-one?
The IUPAC name of 3-fluoro-3-phenyl-1-benzofuran-2-one (CID 102110885) is 3-fluoro-3-phenyl-1-benzofuran-2-one.
What is the SMILES notation for 3-fluoro-3-phenyl-1-benzofuran-2-one?
The canonical SMILES for 3-fluoro-3-phenyl-1-benzofuran-2-one is O=C1Oc2ccccc2C1(F)c1ccccc1.
What is the InChIKey of 3-fluoro-3-phenyl-1-benzofuran-2-one?
The InChIKey is RWRHRYVFAHRRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FO2/c15-14(10-6-2-1-3-7-10)11-8-4-5-9-12(11)17-13(14)16/h1-9H.
What are the key properties of 3-fluoro-3-phenyl-1-benzofuran-2-one?
3-fluoro-3-phenyl-1-benzofuran-2-one has a molecular weight of 228.22 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-phenyl-1-benzofuran-2-one is sourced from PubChem (CID 102110885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).