3-(2,4-difluorophenyl)-5-methyl-3H-2-benzofuran-1-one

C15H10F2O2 — CID 154715728

IUPAC3-(2,4-difluorophenyl)-5-methyl-3H-2-benzofuran-1-one
SMILESCc1ccc2c(c1)C(c1ccc(F)cc1F)OC2=O
InChIInChI=1S/C15H10F2O2/c1-8-2-4-10-12(6-8)14(19-15(10)18)11-5-3-9(16)7-13(11)17/h2-7,14H,1H3
InChIKeyHJGVXPAXWYTZIA-UHFFFAOYSA-N
MW260.24 g/mol
LogP3.53
Rot. Bonds1

About 3-(2,4-difluorophenyl)-5-methyl-3H-2-benzofuran-1-one

3-(2,4-difluorophenyl)-5-methyl-3H-2-benzofuran-1-one (PubChem CID 154715728) has the molecular formula C15H10F2O2 and a molecular weight of 260.24 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-5-methyl-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-5-methyl-3H-2-benzofuran-1-one
PubChem CID154715728
Molecular FormulaC15H10F2O2
Molecular Weight260.24 g/mol
Exact Mass260.06
IUPAC Name3-(2,4-difluorophenyl)-5-methyl-3H-2-benzofuran-1-one
SMILESCc1ccc2c(c1)C(c1ccc(F)cc1F)OC2=O
InChIInChI=1S/C15H10F2O2/c1-8-2-4-10-12(6-8)14(19-15(10)18)11-5-3-9(16)7-13(11)17/h2-7,14H,1H3
InChIKeyHJGVXPAXWYTZIA-UHFFFAOYSA-N
XLogP3.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-5-methyl-3H-2-benzofuran-1-one?
The IUPAC name of 3-(2,4-difluorophenyl)-5-methyl-3H-2-benzofuran-1-one (CID 154715728) is 3-(2,4-difluorophenyl)-5-methyl-3H-2-benzofuran-1-one.
What is the SMILES notation for 3-(2,4-difluorophenyl)-5-methyl-3H-2-benzofuran-1-one?
The canonical SMILES for 3-(2,4-difluorophenyl)-5-methyl-3H-2-benzofuran-1-one is Cc1ccc2c(c1)C(c1ccc(F)cc1F)OC2=O.
What is the InChIKey of 3-(2,4-difluorophenyl)-5-methyl-3H-2-benzofuran-1-one?
The InChIKey is HJGVXPAXWYTZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2O2/c1-8-2-4-10-12(6-8)14(19-15(10)18)11-5-3-9(16)7-13(11)17/h2-7,14H,1H3.
What are the key properties of 3-(2,4-difluorophenyl)-5-methyl-3H-2-benzofuran-1-one?
3-(2,4-difluorophenyl)-5-methyl-3H-2-benzofuran-1-one has a molecular weight of 260.24 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-5-methyl-3H-2-benzofuran-1-one is sourced from PubChem (CID 154715728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).