3-benzyl-7-fluoro-3-methyl-2-benzofuran-1-one

C16H13FO2 — CID 132933679

IUPAC3-benzyl-7-fluoro-3-methyl-2-benzofuran-1-one
SMILESCC1(Cc2ccccc2)OC(=O)c2c(F)cccc21
InChIInChI=1S/C16H13FO2/c1-16(10-11-6-3-2-4-7-11)12-8-5-9-13(17)14(12)15(18)19-16/h2-9H,10H2,1H3
InChIKeyFCZSIVZUNJNWJL-UHFFFAOYSA-N
MW256.28 g/mol
LogP3.45
Rot. Bonds2

About 3-benzyl-7-fluoro-3-methyl-2-benzofuran-1-one

3-benzyl-7-fluoro-3-methyl-2-benzofuran-1-one (PubChem CID 132933679) has the molecular formula C16H13FO2 and a molecular weight of 256.28 g/mol. Its IUPAC name is 3-benzyl-7-fluoro-3-methyl-2-benzofuran-1-one.

Molecular Properties

Compound Name3-benzyl-7-fluoro-3-methyl-2-benzofuran-1-one
PubChem CID132933679
Molecular FormulaC16H13FO2
Molecular Weight256.28 g/mol
Exact Mass256.09
IUPAC Name3-benzyl-7-fluoro-3-methyl-2-benzofuran-1-one
SMILESCC1(Cc2ccccc2)OC(=O)c2c(F)cccc21
InChIInChI=1S/C16H13FO2/c1-16(10-11-6-3-2-4-7-11)12-8-5-9-13(17)14(12)15(18)19-16/h2-9H,10H2,1H3
InChIKeyFCZSIVZUNJNWJL-UHFFFAOYSA-N
XLogP3.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-7-fluoro-3-methyl-2-benzofuran-1-one?
The IUPAC name of 3-benzyl-7-fluoro-3-methyl-2-benzofuran-1-one (CID 132933679) is 3-benzyl-7-fluoro-3-methyl-2-benzofuran-1-one.
What is the SMILES notation for 3-benzyl-7-fluoro-3-methyl-2-benzofuran-1-one?
The canonical SMILES for 3-benzyl-7-fluoro-3-methyl-2-benzofuran-1-one is CC1(Cc2ccccc2)OC(=O)c2c(F)cccc21.
What is the InChIKey of 3-benzyl-7-fluoro-3-methyl-2-benzofuran-1-one?
The InChIKey is FCZSIVZUNJNWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FO2/c1-16(10-11-6-3-2-4-7-11)12-8-5-9-13(17)14(12)15(18)19-16/h2-9H,10H2,1H3.
What are the key properties of 3-benzyl-7-fluoro-3-methyl-2-benzofuran-1-one?
3-benzyl-7-fluoro-3-methyl-2-benzofuran-1-one has a molecular weight of 256.28 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-7-fluoro-3-methyl-2-benzofuran-1-one is sourced from PubChem (CID 132933679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).