3-(fluoromethyl)-1-benzothiophen-4-ol

C9H7FOS — CID 84658437

IUPAC3-(fluoromethyl)-1-benzothiophen-4-ol
SMILESOc1cccc2scc(CF)c12
InChIInChI=1S/C9H7FOS/c10-4-6-5-12-8-3-1-2-7(11)9(6)8/h1-3,5,11H,4H2
InChIKeyBLOOJCVFTFRUNL-UHFFFAOYSA-N
MW182.22 g/mol
LogP3.08
Rot. Bonds1

About 3-(fluoromethyl)-1-benzothiophen-4-ol

3-(fluoromethyl)-1-benzothiophen-4-ol (PubChem CID 84658437) has the molecular formula C9H7FOS and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-(fluoromethyl)-1-benzothiophen-4-ol.

Molecular Properties

Compound Name3-(fluoromethyl)-1-benzothiophen-4-ol
PubChem CID84658437
Molecular FormulaC9H7FOS
Molecular Weight182.22 g/mol
Exact Mass182.02
IUPAC Name3-(fluoromethyl)-1-benzothiophen-4-ol
SMILESOc1cccc2scc(CF)c12
InChIInChI=1S/C9H7FOS/c10-4-6-5-12-8-3-1-2-7(11)9(6)8/h1-3,5,11H,4H2
InChIKeyBLOOJCVFTFRUNL-UHFFFAOYSA-N
XLogP3.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-1-benzothiophen-4-ol?
The IUPAC name of 3-(fluoromethyl)-1-benzothiophen-4-ol (CID 84658437) is 3-(fluoromethyl)-1-benzothiophen-4-ol.
What is the SMILES notation for 3-(fluoromethyl)-1-benzothiophen-4-ol?
The canonical SMILES for 3-(fluoromethyl)-1-benzothiophen-4-ol is Oc1cccc2scc(CF)c12.
What is the InChIKey of 3-(fluoromethyl)-1-benzothiophen-4-ol?
The InChIKey is BLOOJCVFTFRUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FOS/c10-4-6-5-12-8-3-1-2-7(11)9(6)8/h1-3,5,11H,4H2.
What are the key properties of 3-(fluoromethyl)-1-benzothiophen-4-ol?
3-(fluoromethyl)-1-benzothiophen-4-ol has a molecular weight of 182.22 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-1-benzothiophen-4-ol is sourced from PubChem (CID 84658437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).