2-(1-fluoroethyl)-1-benzothiophen-5-ol

C10H9FOS — CID 84666922

IUPAC2-(1-fluoroethyl)-1-benzothiophen-5-ol
SMILESCC(F)c1cc2cc(O)ccc2s1
InChIInChI=1S/C10H9FOS/c1-6(11)10-5-7-4-8(12)2-3-9(7)13-10/h2-6,12H,1H3
InChIKeyXBEOUVUWLSKNAV-UHFFFAOYSA-N
MW196.25 g/mol
LogP3.64
Rot. Bonds1

About 2-(1-fluoroethyl)-1-benzothiophen-5-ol

2-(1-fluoroethyl)-1-benzothiophen-5-ol (PubChem CID 84666922) has the molecular formula C10H9FOS and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(1-fluoroethyl)-1-benzothiophen-5-ol.

Molecular Properties

Compound Name2-(1-fluoroethyl)-1-benzothiophen-5-ol
PubChem CID84666922
Molecular FormulaC10H9FOS
Molecular Weight196.25 g/mol
Exact Mass196.04
IUPAC Name2-(1-fluoroethyl)-1-benzothiophen-5-ol
SMILESCC(F)c1cc2cc(O)ccc2s1
InChIInChI=1S/C10H9FOS/c1-6(11)10-5-7-4-8(12)2-3-9(7)13-10/h2-6,12H,1H3
InChIKeyXBEOUVUWLSKNAV-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoroethyl)-1-benzothiophen-5-ol?
The IUPAC name of 2-(1-fluoroethyl)-1-benzothiophen-5-ol (CID 84666922) is 2-(1-fluoroethyl)-1-benzothiophen-5-ol.
What is the SMILES notation for 2-(1-fluoroethyl)-1-benzothiophen-5-ol?
The canonical SMILES for 2-(1-fluoroethyl)-1-benzothiophen-5-ol is CC(F)c1cc2cc(O)ccc2s1.
What is the InChIKey of 2-(1-fluoroethyl)-1-benzothiophen-5-ol?
The InChIKey is XBEOUVUWLSKNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FOS/c1-6(11)10-5-7-4-8(12)2-3-9(7)13-10/h2-6,12H,1H3.
What are the key properties of 2-(1-fluoroethyl)-1-benzothiophen-5-ol?
2-(1-fluoroethyl)-1-benzothiophen-5-ol has a molecular weight of 196.25 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoroethyl)-1-benzothiophen-5-ol is sourced from PubChem (CID 84666922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).