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

C8H5FO2 — CID 3402335

IUPAC7-fluoro-3H-2-benzofuran-1-one
SMILESO=C1OCc2cccc(F)c21
InChIInChI=1S/C8H5FO2/c9-6-3-1-2-5-4-11-8(10)7(5)6/h1-3H,4H2
InChIKeyJVYFQQBVHWETHD-UHFFFAOYSA-N
MW152.12 g/mol
LogP1.50
Rot. Bonds

About 7-fluoro-3H-2-benzofuran-1-one

7-fluoro-3H-2-benzofuran-1-one (PubChem CID 3402335) has the molecular formula C8H5FO2 and a molecular weight of 152.12 g/mol. Its IUPAC name is 7-fluoro-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name7-fluoro-3H-2-benzofuran-1-one
PubChem CID3402335
Molecular FormulaC8H5FO2
Molecular Weight152.12 g/mol
Exact Mass152.03
IUPAC Name7-fluoro-3H-2-benzofuran-1-one
SMILESO=C1OCc2cccc(F)c21
InChIInChI=1S/C8H5FO2/c9-6-3-1-2-5-4-11-8(10)7(5)6/h1-3H,4H2
InChIKeyJVYFQQBVHWETHD-UHFFFAOYSA-N
XLogP1.50
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 ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3H-2-benzofuran-1-one?
The IUPAC name of 7-fluoro-3H-2-benzofuran-1-one (CID 3402335) is 7-fluoro-3H-2-benzofuran-1-one.
What is the SMILES notation for 7-fluoro-3H-2-benzofuran-1-one?
The canonical SMILES for 7-fluoro-3H-2-benzofuran-1-one is O=C1OCc2cccc(F)c21.
What is the InChIKey of 7-fluoro-3H-2-benzofuran-1-one?
The InChIKey is JVYFQQBVHWETHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FO2/c9-6-3-1-2-5-4-11-8(10)7(5)6/h1-3H,4H2.
What are the key properties of 7-fluoro-3H-2-benzofuran-1-one?
7-fluoro-3H-2-benzofuran-1-one has a molecular weight of 152.12 g/mol, XLogP of 1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3H-2-benzofuran-1-one is sourced from PubChem (CID 3402335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).