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

C12H6F2O2S — CID 175077497

IUPAC4,5-difluoro-3-thiophen-2-yl-3H-2-benzofuran-1-one
SMILESO=C1OC(c2cccs2)c2c1ccc(F)c2F
InChIInChI=1S/C12H6F2O2S/c13-7-4-3-6-9(10(7)14)11(16-12(6)15)8-2-1-5-17-8/h1-5,11H
InChIKeyCIHYJMFFHSORJE-UHFFFAOYSA-N
MW252.24 g/mol
LogP3.29
Rot. Bonds1

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

4,5-difluoro-3-thiophen-2-yl-3H-2-benzofuran-1-one (PubChem CID 175077497) has the molecular formula C12H6F2O2S and a molecular weight of 252.24 g/mol. Its IUPAC name is 4,5-difluoro-3-thiophen-2-yl-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name4,5-difluoro-3-thiophen-2-yl-3H-2-benzofuran-1-one
PubChem CID175077497
Molecular FormulaC12H6F2O2S
Molecular Weight252.24 g/mol
Exact Mass252.01
IUPAC Name4,5-difluoro-3-thiophen-2-yl-3H-2-benzofuran-1-one
SMILESO=C1OC(c2cccs2)c2c1ccc(F)c2F
InChIInChI=1S/C12H6F2O2S/c13-7-4-3-6-9(10(7)14)11(16-12(6)15)8-2-1-5-17-8/h1-5,11H
InChIKeyCIHYJMFFHSORJE-UHFFFAOYSA-N
XLogP3.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-3-thiophen-2-yl-3H-2-benzofuran-1-one?
The IUPAC name of 4,5-difluoro-3-thiophen-2-yl-3H-2-benzofuran-1-one (CID 175077497) is 4,5-difluoro-3-thiophen-2-yl-3H-2-benzofuran-1-one.
What is the SMILES notation for 4,5-difluoro-3-thiophen-2-yl-3H-2-benzofuran-1-one?
The canonical SMILES for 4,5-difluoro-3-thiophen-2-yl-3H-2-benzofuran-1-one is O=C1OC(c2cccs2)c2c1ccc(F)c2F.
What is the InChIKey of 4,5-difluoro-3-thiophen-2-yl-3H-2-benzofuran-1-one?
The InChIKey is CIHYJMFFHSORJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F2O2S/c13-7-4-3-6-9(10(7)14)11(16-12(6)15)8-2-1-5-17-8/h1-5,11H.
What are the key properties of 4,5-difluoro-3-thiophen-2-yl-3H-2-benzofuran-1-one?
4,5-difluoro-3-thiophen-2-yl-3H-2-benzofuran-1-one has a molecular weight of 252.24 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-3-thiophen-2-yl-3H-2-benzofuran-1-one is sourced from PubChem (CID 175077497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).