5-bromo-3-(2,6-difluorophenyl)-3H-2-benzofuran-1-one

C14H7BrF2O2 — CID 154717241

IUPAC5-bromo-3-(2,6-difluorophenyl)-3H-2-benzofuran-1-one
SMILESO=C1OC(c2c(F)cccc2F)c2cc(Br)ccc21
InChIInChI=1S/C14H7BrF2O2/c15-7-4-5-8-9(6-7)13(19-14(8)18)12-10(16)2-1-3-11(12)17/h1-6,13H
InChIKeyOMHVEENWVALJQY-UHFFFAOYSA-N
MW325.11 g/mol
LogP3.99
Rot. Bonds1

About 5-bromo-3-(2,6-difluorophenyl)-3H-2-benzofuran-1-one

5-bromo-3-(2,6-difluorophenyl)-3H-2-benzofuran-1-one (PubChem CID 154717241) has the molecular formula C14H7BrF2O2 and a molecular weight of 325.11 g/mol. Its IUPAC name is 5-bromo-3-(2,6-difluorophenyl)-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name5-bromo-3-(2,6-difluorophenyl)-3H-2-benzofuran-1-one
PubChem CID154717241
Molecular FormulaC14H7BrF2O2
Molecular Weight325.11 g/mol
Exact Mass323.96
IUPAC Name5-bromo-3-(2,6-difluorophenyl)-3H-2-benzofuran-1-one
SMILESO=C1OC(c2c(F)cccc2F)c2cc(Br)ccc21
InChIInChI=1S/C14H7BrF2O2/c15-7-4-5-8-9(6-7)13(19-14(8)18)12-10(16)2-1-3-11(12)17/h1-6,13H
InChIKeyOMHVEENWVALJQY-UHFFFAOYSA-N
XLogP3.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.11
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(2,6-difluorophenyl)-3H-2-benzofuran-1-one?
The IUPAC name of 5-bromo-3-(2,6-difluorophenyl)-3H-2-benzofuran-1-one (CID 154717241) is 5-bromo-3-(2,6-difluorophenyl)-3H-2-benzofuran-1-one.
What is the SMILES notation for 5-bromo-3-(2,6-difluorophenyl)-3H-2-benzofuran-1-one?
The canonical SMILES for 5-bromo-3-(2,6-difluorophenyl)-3H-2-benzofuran-1-one is O=C1OC(c2c(F)cccc2F)c2cc(Br)ccc21.
What is the InChIKey of 5-bromo-3-(2,6-difluorophenyl)-3H-2-benzofuran-1-one?
The InChIKey is OMHVEENWVALJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrF2O2/c15-7-4-5-8-9(6-7)13(19-14(8)18)12-10(16)2-1-3-11(12)17/h1-6,13H.
What are the key properties of 5-bromo-3-(2,6-difluorophenyl)-3H-2-benzofuran-1-one?
5-bromo-3-(2,6-difluorophenyl)-3H-2-benzofuran-1-one has a molecular weight of 325.11 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(2,6-difluorophenyl)-3H-2-benzofuran-1-one is sourced from PubChem (CID 154717241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).