8-(5-fluoro-1-benzothiophen-3-yl)-1,4-dioxaspiro[4.5]dec-7-ene

C16H15FO2S — CID 58975498

IUPAC8-(5-fluoro-1-benzothiophen-3-yl)-1,4-dioxaspiro[4.5]dec-7-ene
SMILESFc1ccc2scc(C3=CCC4(CC3)OCCO4)c2c1
InChIInChI=1S/C16H15FO2S/c17-12-1-2-15-13(9-12)14(10-20-15)11-3-5-16(6-4-11)18-7-8-19-16/h1-3,9-10H,4-8H2
InChIKeyJIBZBNHMOJHIMS-UHFFFAOYSA-N
MW290.36 g/mol
LogP4.35
Rot. Bonds1

About 8-(5-fluoro-1-benzothiophen-3-yl)-1,4-dioxaspiro[4.5]dec-7-ene

8-(5-fluoro-1-benzothiophen-3-yl)-1,4-dioxaspiro[4.5]dec-7-ene (PubChem CID 58975498) has the molecular formula C16H15FO2S and a molecular weight of 290.36 g/mol. Its IUPAC name is 8-(5-fluoro-1-benzothiophen-3-yl)-1,4-dioxaspiro[4.5]dec-7-ene.

Molecular Properties

Compound Name8-(5-fluoro-1-benzothiophen-3-yl)-1,4-dioxaspiro[4.5]dec-7-ene
PubChem CID58975498
Molecular FormulaC16H15FO2S
Molecular Weight290.36 g/mol
Exact Mass290.08
IUPAC Name8-(5-fluoro-1-benzothiophen-3-yl)-1,4-dioxaspiro[4.5]dec-7-ene
SMILESFc1ccc2scc(C3=CCC4(CC3)OCCO4)c2c1
InChIInChI=1S/C16H15FO2S/c17-12-1-2-15-13(9-12)14(10-20-15)11-3-5-16(6-4-11)18-7-8-19-16/h1-3,9-10H,4-8H2
InChIKeyJIBZBNHMOJHIMS-UHFFFAOYSA-N
XLogP4.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(5-fluoro-1-benzothiophen-3-yl)-1,4-dioxaspiro[4.5]dec-7-ene?
The IUPAC name of 8-(5-fluoro-1-benzothiophen-3-yl)-1,4-dioxaspiro[4.5]dec-7-ene (CID 58975498) is 8-(5-fluoro-1-benzothiophen-3-yl)-1,4-dioxaspiro[4.5]dec-7-ene.
What is the SMILES notation for 8-(5-fluoro-1-benzothiophen-3-yl)-1,4-dioxaspiro[4.5]dec-7-ene?
The canonical SMILES for 8-(5-fluoro-1-benzothiophen-3-yl)-1,4-dioxaspiro[4.5]dec-7-ene is Fc1ccc2scc(C3=CCC4(CC3)OCCO4)c2c1.
What is the InChIKey of 8-(5-fluoro-1-benzothiophen-3-yl)-1,4-dioxaspiro[4.5]dec-7-ene?
The InChIKey is JIBZBNHMOJHIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO2S/c17-12-1-2-15-13(9-12)14(10-20-15)11-3-5-16(6-4-11)18-7-8-19-16/h1-3,9-10H,4-8H2.
What are the key properties of 8-(5-fluoro-1-benzothiophen-3-yl)-1,4-dioxaspiro[4.5]dec-7-ene?
8-(5-fluoro-1-benzothiophen-3-yl)-1,4-dioxaspiro[4.5]dec-7-ene has a molecular weight of 290.36 g/mol, XLogP of 4.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-fluoro-1-benzothiophen-3-yl)-1,4-dioxaspiro[4.5]dec-7-ene is sourced from PubChem (CID 58975498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).