4-benzyl-3-fluoro-2-phenyl-2H-furan-5-one

C17H13FO2 — CID 44605459

IUPAC4-benzyl-3-fluoro-2-phenyl-2H-furan-5-one
SMILESO=C1OC(c2ccccc2)C(F)=C1Cc1ccccc1
InChIInChI=1S/C17H13FO2/c18-15-14(11-12-7-3-1-4-8-12)17(19)20-16(15)13-9-5-2-6-10-13/h1-10,16H,11H2
InChIKeyFEHHYQWCAXOLPA-UHFFFAOYSA-N
MW268.29 g/mol
LogP3.75
Rot. Bonds3

About 4-benzyl-3-fluoro-2-phenyl-2H-furan-5-one

4-benzyl-3-fluoro-2-phenyl-2H-furan-5-one (PubChem CID 44605459) has the molecular formula C17H13FO2 and a molecular weight of 268.29 g/mol. Its IUPAC name is 4-benzyl-3-fluoro-2-phenyl-2H-furan-5-one.

Molecular Properties

Compound Name4-benzyl-3-fluoro-2-phenyl-2H-furan-5-one
PubChem CID44605459
Molecular FormulaC17H13FO2
Molecular Weight268.29 g/mol
Exact Mass268.09
IUPAC Name4-benzyl-3-fluoro-2-phenyl-2H-furan-5-one
SMILESO=C1OC(c2ccccc2)C(F)=C1Cc1ccccc1
InChIInChI=1S/C17H13FO2/c18-15-14(11-12-7-3-1-4-8-12)17(19)20-16(15)13-9-5-2-6-10-13/h1-10,16H,11H2
InChIKeyFEHHYQWCAXOLPA-UHFFFAOYSA-N
XLogP3.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-benzyl-3-fluoro-2-phenyl-2H-furan-5-one with MolForge

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

Launch Full Analysis

Related Compounds

Benzyl Benzoate
CID 2345
Benzyl Cinnamate
CID 5273469
Butyl Benzoate
CID 8698
Propyl Benzoate
CID 16846
Phenethyl Benzoate
CID 7194
Prenyl benzoate
CID 21265
Ethyl benzoate
CID 7165
Benzyl phenylacetate
CID 60999
Di-O-benzoyldiethylene glycol
CID 8437
Glyceryl tribenzoate
CID 61156
1-Phenylethyl propionate
CID 8432
Cinnamyl benzoate
CID 5705112

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-fluoro-2-phenyl-2H-furan-5-one?
The IUPAC name of 4-benzyl-3-fluoro-2-phenyl-2H-furan-5-one (CID 44605459) is 4-benzyl-3-fluoro-2-phenyl-2H-furan-5-one.
What is the SMILES notation for 4-benzyl-3-fluoro-2-phenyl-2H-furan-5-one?
The canonical SMILES for 4-benzyl-3-fluoro-2-phenyl-2H-furan-5-one is O=C1OC(c2ccccc2)C(F)=C1Cc1ccccc1.
What is the InChIKey of 4-benzyl-3-fluoro-2-phenyl-2H-furan-5-one?
The InChIKey is FEHHYQWCAXOLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FO2/c18-15-14(11-12-7-3-1-4-8-12)17(19)20-16(15)13-9-5-2-6-10-13/h1-10,16H,11H2.
What are the key properties of 4-benzyl-3-fluoro-2-phenyl-2H-furan-5-one?
4-benzyl-3-fluoro-2-phenyl-2H-furan-5-one has a molecular weight of 268.29 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-fluoro-2-phenyl-2H-furan-5-one is sourced from PubChem (CID 44605459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).