3-benzyl-3-fluoro-1-benzofuran-2-one

C15H11FO2 — CID 102110873

IUPAC3-benzyl-3-fluoro-1-benzofuran-2-one
SMILESO=C1Oc2ccccc2C1(F)Cc1ccccc1
InChIInChI=1S/C15H11FO2/c16-15(10-11-6-2-1-3-7-11)12-8-4-5-9-13(12)18-14(15)17/h1-9H,10H2
InChIKeyZMGKFNIATWYUFB-UHFFFAOYSA-N
MW242.25 g/mol
LogP3.01
Rot. Bonds2

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

3-benzyl-3-fluoro-1-benzofuran-2-one (PubChem CID 102110873) has the molecular formula C15H11FO2 and a molecular weight of 242.25 g/mol. Its IUPAC name is 3-benzyl-3-fluoro-1-benzofuran-2-one.

Molecular Properties

Compound Name3-benzyl-3-fluoro-1-benzofuran-2-one
PubChem CID102110873
Molecular FormulaC15H11FO2
Molecular Weight242.25 g/mol
Exact Mass242.07
IUPAC Name3-benzyl-3-fluoro-1-benzofuran-2-one
SMILESO=C1Oc2ccccc2C1(F)Cc1ccccc1
InChIInChI=1S/C15H11FO2/c16-15(10-11-6-2-1-3-7-11)12-8-4-5-9-13(12)18-14(15)17/h1-9H,10H2
InChIKeyZMGKFNIATWYUFB-UHFFFAOYSA-N
XLogP3.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-3-fluoro-1-benzofuran-2-one?
The IUPAC name of 3-benzyl-3-fluoro-1-benzofuran-2-one (CID 102110873) is 3-benzyl-3-fluoro-1-benzofuran-2-one.
What is the SMILES notation for 3-benzyl-3-fluoro-1-benzofuran-2-one?
The canonical SMILES for 3-benzyl-3-fluoro-1-benzofuran-2-one is O=C1Oc2ccccc2C1(F)Cc1ccccc1.
What is the InChIKey of 3-benzyl-3-fluoro-1-benzofuran-2-one?
The InChIKey is ZMGKFNIATWYUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FO2/c16-15(10-11-6-2-1-3-7-11)12-8-4-5-9-13(12)18-14(15)17/h1-9H,10H2.
What are the key properties of 3-benzyl-3-fluoro-1-benzofuran-2-one?
3-benzyl-3-fluoro-1-benzofuran-2-one has a molecular weight of 242.25 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-3-fluoro-1-benzofuran-2-one is sourced from PubChem (CID 102110873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).