4,5-difluoro-3H-2-benzofuran-1-one

C8H4F2O2 — CID 66820048

IUPAC4,5-difluoro-3H-2-benzofuran-1-one
SMILESO=C1OCc2c1ccc(F)c2F
InChIInChI=1S/C8H4F2O2/c9-6-2-1-4-5(7(6)10)3-12-8(4)11/h1-2H,3H2
InChIKeyZYZVOVYVLBQGMH-UHFFFAOYSA-N
MW170.11 g/mol
LogP1.64
Rot. Bonds

About 4,5-difluoro-3H-2-benzofuran-1-one

4,5-difluoro-3H-2-benzofuran-1-one (PubChem CID 66820048) has the molecular formula C8H4F2O2 and a molecular weight of 170.11 g/mol. Its IUPAC name is 4,5-difluoro-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name4,5-difluoro-3H-2-benzofuran-1-one
PubChem CID66820048
Molecular FormulaC8H4F2O2
Molecular Weight170.11 g/mol
Exact Mass170.02
IUPAC Name4,5-difluoro-3H-2-benzofuran-1-one
SMILESO=C1OCc2c1ccc(F)c2F
InChIInChI=1S/C8H4F2O2/c9-6-2-1-4-5(7(6)10)3-12-8(4)11/h1-2H,3H2
InChIKeyZYZVOVYVLBQGMH-UHFFFAOYSA-N
XLogP1.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.11
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-3H-2-benzofuran-1-one?
The IUPAC name of 4,5-difluoro-3H-2-benzofuran-1-one (CID 66820048) is 4,5-difluoro-3H-2-benzofuran-1-one.
What is the SMILES notation for 4,5-difluoro-3H-2-benzofuran-1-one?
The canonical SMILES for 4,5-difluoro-3H-2-benzofuran-1-one is O=C1OCc2c1ccc(F)c2F.
What is the InChIKey of 4,5-difluoro-3H-2-benzofuran-1-one?
The InChIKey is ZYZVOVYVLBQGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F2O2/c9-6-2-1-4-5(7(6)10)3-12-8(4)11/h1-2H,3H2.
What are the key properties of 4,5-difluoro-3H-2-benzofuran-1-one?
4,5-difluoro-3H-2-benzofuran-1-one has a molecular weight of 170.11 g/mol, XLogP of 1.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-3H-2-benzofuran-1-one is sourced from PubChem (CID 66820048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).