2-(4-fluoro-1-benzothiophen-5-yl)ethanol

C10H9FOS — CID 22666332

IUPAC2-(4-fluoro-1-benzothiophen-5-yl)ethanol
SMILESOCCc1ccc2sccc2c1F
InChIInChI=1S/C10H9FOS/c11-10-7(3-5-12)1-2-9-8(10)4-6-13-9/h1-2,4,6,12H,3,5H2
InChIKeyUMJCWRAXGLLNPU-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.58
Rot. Bonds2

About 2-(4-fluoro-1-benzothiophen-5-yl)ethanol

2-(4-fluoro-1-benzothiophen-5-yl)ethanol (PubChem CID 22666332) has the molecular formula C10H9FOS and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(4-fluoro-1-benzothiophen-5-yl)ethanol.

Molecular Properties

Compound Name2-(4-fluoro-1-benzothiophen-5-yl)ethanol
PubChem CID22666332
Molecular FormulaC10H9FOS
Molecular Weight196.25 g/mol
Exact Mass196.04
IUPAC Name2-(4-fluoro-1-benzothiophen-5-yl)ethanol
SMILESOCCc1ccc2sccc2c1F
InChIInChI=1S/C10H9FOS/c11-10-7(3-5-12)1-2-9-8(10)4-6-13-9/h1-2,4,6,12H,3,5H2
InChIKeyUMJCWRAXGLLNPU-UHFFFAOYSA-N
XLogP2.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-1-benzothiophen-5-yl)ethanol?
The IUPAC name of 2-(4-fluoro-1-benzothiophen-5-yl)ethanol (CID 22666332) is 2-(4-fluoro-1-benzothiophen-5-yl)ethanol.
What is the SMILES notation for 2-(4-fluoro-1-benzothiophen-5-yl)ethanol?
The canonical SMILES for 2-(4-fluoro-1-benzothiophen-5-yl)ethanol is OCCc1ccc2sccc2c1F.
What is the InChIKey of 2-(4-fluoro-1-benzothiophen-5-yl)ethanol?
The InChIKey is UMJCWRAXGLLNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FOS/c11-10-7(3-5-12)1-2-9-8(10)4-6-13-9/h1-2,4,6,12H,3,5H2.
What are the key properties of 2-(4-fluoro-1-benzothiophen-5-yl)ethanol?
2-(4-fluoro-1-benzothiophen-5-yl)ethanol has a molecular weight of 196.25 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-1-benzothiophen-5-yl)ethanol is sourced from PubChem (CID 22666332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).