3-fluoro-3H-2-benzofuran-1-one

C8H5FO2 — CID 10197780

IUPAC3-fluoro-3H-2-benzofuran-1-one
SMILESO=C1OC(F)c2ccccc21
InChIInChI=1S/C8H5FO2/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4,7H
InChIKeyAEWGTAYUSHXLEH-UHFFFAOYSA-N
MW152.12 g/mol
LogP1.83
Rot. Bonds

About 3-fluoro-3H-2-benzofuran-1-one

3-fluoro-3H-2-benzofuran-1-one (PubChem CID 10197780) has the molecular formula C8H5FO2 and a molecular weight of 152.12 g/mol. Its IUPAC name is 3-fluoro-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name3-fluoro-3H-2-benzofuran-1-one
PubChem CID10197780
Molecular FormulaC8H5FO2
Molecular Weight152.12 g/mol
Exact Mass152.03
IUPAC Name3-fluoro-3H-2-benzofuran-1-one
SMILESO=C1OC(F)c2ccccc21
InChIInChI=1S/C8H5FO2/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4,7H
InChIKeyAEWGTAYUSHXLEH-UHFFFAOYSA-N
XLogP1.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.12
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3H-2-benzofuran-1-one?
The IUPAC name of 3-fluoro-3H-2-benzofuran-1-one (CID 10197780) is 3-fluoro-3H-2-benzofuran-1-one.
What is the SMILES notation for 3-fluoro-3H-2-benzofuran-1-one?
The canonical SMILES for 3-fluoro-3H-2-benzofuran-1-one is O=C1OC(F)c2ccccc21.
What is the InChIKey of 3-fluoro-3H-2-benzofuran-1-one?
The InChIKey is AEWGTAYUSHXLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FO2/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4,7H.
What are the key properties of 3-fluoro-3H-2-benzofuran-1-one?
3-fluoro-3H-2-benzofuran-1-one has a molecular weight of 152.12 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3H-2-benzofuran-1-one is sourced from PubChem (CID 10197780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).