4-fluoro-1-benzothiophen-5-ol

C8H5FOS — CID 135380390

IUPAC4-fluoro-1-benzothiophen-5-ol
SMILESOc1ccc2sccc2c1F
InChIInChI=1S/C8H5FOS/c9-8-5-3-4-11-7(5)2-1-6(8)10/h1-4,10H
InChIKeyDYYILDJSBPNGCR-UHFFFAOYSA-N
MW168.19 g/mol
LogP2.75
Rot. Bonds

About 4-fluoro-1-benzothiophen-5-ol

4-fluoro-1-benzothiophen-5-ol (PubChem CID 135380390) has the molecular formula C8H5FOS and a molecular weight of 168.19 g/mol. Its IUPAC name is 4-fluoro-1-benzothiophen-5-ol.

Molecular Properties

Compound Name4-fluoro-1-benzothiophen-5-ol
PubChem CID135380390
Molecular FormulaC8H5FOS
Molecular Weight168.19 g/mol
Exact Mass168.00
IUPAC Name4-fluoro-1-benzothiophen-5-ol
SMILESOc1ccc2sccc2c1F
InChIInChI=1S/C8H5FOS/c9-8-5-3-4-11-7(5)2-1-6(8)10/h1-4,10H
InChIKeyDYYILDJSBPNGCR-UHFFFAOYSA-N
XLogP2.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-benzothiophen-5-ol?
The IUPAC name of 4-fluoro-1-benzothiophen-5-ol (CID 135380390) is 4-fluoro-1-benzothiophen-5-ol.
What is the SMILES notation for 4-fluoro-1-benzothiophen-5-ol?
The canonical SMILES for 4-fluoro-1-benzothiophen-5-ol is Oc1ccc2sccc2c1F.
What is the InChIKey of 4-fluoro-1-benzothiophen-5-ol?
The InChIKey is DYYILDJSBPNGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FOS/c9-8-5-3-4-11-7(5)2-1-6(8)10/h1-4,10H.
What are the key properties of 4-fluoro-1-benzothiophen-5-ol?
4-fluoro-1-benzothiophen-5-ol has a molecular weight of 168.19 g/mol, XLogP of 2.75, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-benzothiophen-5-ol is sourced from PubChem (CID 135380390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).