1-(5-fluoro-1-benzothiophen-3-yl)ethanol

C10H9FOS — CID 59987049

IUPAC1-(5-fluoro-1-benzothiophen-3-yl)ethanol
SMILESCC(O)c1csc2ccc(F)cc12
InChIInChI=1S/C10H9FOS/c1-6(12)9-5-13-10-3-2-7(11)4-8(9)10/h2-6,12H,1H3
InChIKeyXKSDQLWIAKKGCO-UHFFFAOYSA-N
MW196.25 g/mol
LogP3.09
Rot. Bonds1

About 1-(5-fluoro-1-benzothiophen-3-yl)ethanol

1-(5-fluoro-1-benzothiophen-3-yl)ethanol (PubChem CID 59987049) has the molecular formula C10H9FOS and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-(5-fluoro-1-benzothiophen-3-yl)ethanol.

Molecular Properties

Compound Name1-(5-fluoro-1-benzothiophen-3-yl)ethanol
PubChem CID59987049
Molecular FormulaC10H9FOS
Molecular Weight196.25 g/mol
Exact Mass196.04
IUPAC Name1-(5-fluoro-1-benzothiophen-3-yl)ethanol
SMILESCC(O)c1csc2ccc(F)cc12
InChIInChI=1S/C10H9FOS/c1-6(12)9-5-13-10-3-2-7(11)4-8(9)10/h2-6,12H,1H3
InChIKeyXKSDQLWIAKKGCO-UHFFFAOYSA-N
XLogP3.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1-benzothiophen-3-yl)ethanol?
The IUPAC name of 1-(5-fluoro-1-benzothiophen-3-yl)ethanol (CID 59987049) is 1-(5-fluoro-1-benzothiophen-3-yl)ethanol.
What is the SMILES notation for 1-(5-fluoro-1-benzothiophen-3-yl)ethanol?
The canonical SMILES for 1-(5-fluoro-1-benzothiophen-3-yl)ethanol is CC(O)c1csc2ccc(F)cc12.
What is the InChIKey of 1-(5-fluoro-1-benzothiophen-3-yl)ethanol?
The InChIKey is XKSDQLWIAKKGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FOS/c1-6(12)9-5-13-10-3-2-7(11)4-8(9)10/h2-6,12H,1H3.
What are the key properties of 1-(5-fluoro-1-benzothiophen-3-yl)ethanol?
1-(5-fluoro-1-benzothiophen-3-yl)ethanol has a molecular weight of 196.25 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1-benzothiophen-3-yl)ethanol is sourced from PubChem (CID 59987049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).