3-(4-fluorophenoxy)-1-benzothiophene

C14H9FOS — CID 11817399

IUPAC3-(4-fluorophenoxy)-1-benzothiophene
SMILESFc1ccc(Oc2csc3ccccc23)cc1
InChIInChI=1S/C14H9FOS/c15-10-5-7-11(8-6-10)16-13-9-17-14-4-2-1-3-12(13)14/h1-9H
InChIKeyWCMMDBUHABYFRI-UHFFFAOYSA-N
MW244.29 g/mol
LogP4.83
Rot. Bonds2

About 3-(4-fluorophenoxy)-1-benzothiophene

3-(4-fluorophenoxy)-1-benzothiophene (PubChem CID 11817399) has the molecular formula C14H9FOS and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)-1-benzothiophene.

Molecular Properties

Compound Name3-(4-fluorophenoxy)-1-benzothiophene
PubChem CID11817399
Molecular FormulaC14H9FOS
Molecular Weight244.29 g/mol
Exact Mass244.04
IUPAC Name3-(4-fluorophenoxy)-1-benzothiophene
SMILESFc1ccc(Oc2csc3ccccc23)cc1
InChIInChI=1S/C14H9FOS/c15-10-5-7-11(8-6-10)16-13-9-17-14-4-2-1-3-12(13)14/h1-9H
InChIKeyWCMMDBUHABYFRI-UHFFFAOYSA-N
XLogP4.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenoxy)-1-benzothiophene?
The IUPAC name of 3-(4-fluorophenoxy)-1-benzothiophene (CID 11817399) is 3-(4-fluorophenoxy)-1-benzothiophene.
What is the SMILES notation for 3-(4-fluorophenoxy)-1-benzothiophene?
The canonical SMILES for 3-(4-fluorophenoxy)-1-benzothiophene is Fc1ccc(Oc2csc3ccccc23)cc1.
What is the InChIKey of 3-(4-fluorophenoxy)-1-benzothiophene?
The InChIKey is WCMMDBUHABYFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FOS/c15-10-5-7-11(8-6-10)16-13-9-17-14-4-2-1-3-12(13)14/h1-9H.
What are the key properties of 3-(4-fluorophenoxy)-1-benzothiophene?
3-(4-fluorophenoxy)-1-benzothiophene has a molecular weight of 244.29 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenoxy)-1-benzothiophene is sourced from PubChem (CID 11817399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).