3-fluoro-3-[(4-fluorophenyl)methyl]-1-benzofuran-2-one

C15H10F2O2 — CID 71739148

IUPAC3-fluoro-3-[(4-fluorophenyl)methyl]-1-benzofuran-2-one
SMILESO=C1Oc2ccccc2C1(F)Cc1ccc(F)cc1
InChIInChI=1S/C15H10F2O2/c16-11-7-5-10(6-8-11)9-15(17)12-3-1-2-4-13(12)19-14(15)18/h1-8H,9H2
InChIKeyDUCXDLLPKHIZCP-UHFFFAOYSA-N
MW260.24 g/mol
LogP3.15
Rot. Bonds2

About 3-fluoro-3-[(4-fluorophenyl)methyl]-1-benzofuran-2-one

3-fluoro-3-[(4-fluorophenyl)methyl]-1-benzofuran-2-one (PubChem CID 71739148) has the molecular formula C15H10F2O2 and a molecular weight of 260.24 g/mol. Its IUPAC name is 3-fluoro-3-[(4-fluorophenyl)methyl]-1-benzofuran-2-one.

Molecular Properties

Compound Name3-fluoro-3-[(4-fluorophenyl)methyl]-1-benzofuran-2-one
PubChem CID71739148
Molecular FormulaC15H10F2O2
Molecular Weight260.24 g/mol
Exact Mass260.06
IUPAC Name3-fluoro-3-[(4-fluorophenyl)methyl]-1-benzofuran-2-one
SMILESO=C1Oc2ccccc2C1(F)Cc1ccc(F)cc1
InChIInChI=1S/C15H10F2O2/c16-11-7-5-10(6-8-11)9-15(17)12-3-1-2-4-13(12)19-14(15)18/h1-8H,9H2
InChIKeyDUCXDLLPKHIZCP-UHFFFAOYSA-N
XLogP3.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-fluoro-3-[(4-fluorophenyl)methyl]-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-[(4-fluorophenyl)methyl]-1-benzofuran-2-one?
The IUPAC name of 3-fluoro-3-[(4-fluorophenyl)methyl]-1-benzofuran-2-one (CID 71739148) is 3-fluoro-3-[(4-fluorophenyl)methyl]-1-benzofuran-2-one.
What is the SMILES notation for 3-fluoro-3-[(4-fluorophenyl)methyl]-1-benzofuran-2-one?
The canonical SMILES for 3-fluoro-3-[(4-fluorophenyl)methyl]-1-benzofuran-2-one is O=C1Oc2ccccc2C1(F)Cc1ccc(F)cc1.
What is the InChIKey of 3-fluoro-3-[(4-fluorophenyl)methyl]-1-benzofuran-2-one?
The InChIKey is DUCXDLLPKHIZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2O2/c16-11-7-5-10(6-8-11)9-15(17)12-3-1-2-4-13(12)19-14(15)18/h1-8H,9H2.
What are the key properties of 3-fluoro-3-[(4-fluorophenyl)methyl]-1-benzofuran-2-one?
3-fluoro-3-[(4-fluorophenyl)methyl]-1-benzofuran-2-one has a molecular weight of 260.24 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-[(4-fluorophenyl)methyl]-1-benzofuran-2-one is sourced from PubChem (CID 71739148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).