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

C8H5FO3 — CID 13416643

IUPAC7-fluoro-3-hydroxy-3H-2-benzofuran-1-one
SMILESO=C1OC(O)c2cccc(F)c21
InChIInChI=1S/C8H5FO3/c9-5-3-1-2-4-6(5)8(11)12-7(4)10/h1-3,7,10H
InChIKeyYZRBEOHYVNOOHA-UHFFFAOYSA-N
MW168.12 g/mol
LogP0.99
Rot. Bonds

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

7-fluoro-3-hydroxy-3H-2-benzofuran-1-one (PubChem CID 13416643) has the molecular formula C8H5FO3 and a molecular weight of 168.12 g/mol. Its IUPAC name is 7-fluoro-3-hydroxy-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name7-fluoro-3-hydroxy-3H-2-benzofuran-1-one
PubChem CID13416643
Molecular FormulaC8H5FO3
Molecular Weight168.12 g/mol
Exact Mass168.02
IUPAC Name7-fluoro-3-hydroxy-3H-2-benzofuran-1-one
SMILESO=C1OC(O)c2cccc(F)c21
InChIInChI=1S/C8H5FO3/c9-5-3-1-2-4-6(5)8(11)12-7(4)10/h1-3,7,10H
InChIKeyYZRBEOHYVNOOHA-UHFFFAOYSA-N
XLogP0.99
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.12
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-hydroxy-3H-2-benzofuran-1-one?
The IUPAC name of 7-fluoro-3-hydroxy-3H-2-benzofuran-1-one (CID 13416643) is 7-fluoro-3-hydroxy-3H-2-benzofuran-1-one.
What is the SMILES notation for 7-fluoro-3-hydroxy-3H-2-benzofuran-1-one?
The canonical SMILES for 7-fluoro-3-hydroxy-3H-2-benzofuran-1-one is O=C1OC(O)c2cccc(F)c21.
What is the InChIKey of 7-fluoro-3-hydroxy-3H-2-benzofuran-1-one?
The InChIKey is YZRBEOHYVNOOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FO3/c9-5-3-1-2-4-6(5)8(11)12-7(4)10/h1-3,7,10H.
What are the key properties of 7-fluoro-3-hydroxy-3H-2-benzofuran-1-one?
7-fluoro-3-hydroxy-3H-2-benzofuran-1-one has a molecular weight of 168.12 g/mol, XLogP of 0.99, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-hydroxy-3H-2-benzofuran-1-one is sourced from PubChem (CID 13416643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).