6-fluoro-2-(phenoxymethyl)-1-benzothiophene

C15H11FOS — CID 117179780

IUPAC6-fluoro-2-(phenoxymethyl)-1-benzothiophene
SMILESFc1ccc2cc(COc3ccccc3)sc2c1
InChIInChI=1S/C15H11FOS/c16-12-7-6-11-8-14(18-15(11)9-12)10-17-13-4-2-1-3-5-13/h1-9H,10H2
InChIKeyAZHPMJMBVUGWOE-UHFFFAOYSA-N
MW258.32 g/mol
LogP4.62
Rot. Bonds3

About 6-fluoro-2-(phenoxymethyl)-1-benzothiophene

6-fluoro-2-(phenoxymethyl)-1-benzothiophene (PubChem CID 117179780) has the molecular formula C15H11FOS and a molecular weight of 258.32 g/mol. Its IUPAC name is 6-fluoro-2-(phenoxymethyl)-1-benzothiophene.

Molecular Properties

Compound Name6-fluoro-2-(phenoxymethyl)-1-benzothiophene
PubChem CID117179780
Molecular FormulaC15H11FOS
Molecular Weight258.32 g/mol
Exact Mass258.05
IUPAC Name6-fluoro-2-(phenoxymethyl)-1-benzothiophene
SMILESFc1ccc2cc(COc3ccccc3)sc2c1
InChIInChI=1S/C15H11FOS/c16-12-7-6-11-8-14(18-15(11)9-12)10-17-13-4-2-1-3-5-13/h1-9H,10H2
InChIKeyAZHPMJMBVUGWOE-UHFFFAOYSA-N
XLogP4.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(phenoxymethyl)-1-benzothiophene?
The IUPAC name of 6-fluoro-2-(phenoxymethyl)-1-benzothiophene (CID 117179780) is 6-fluoro-2-(phenoxymethyl)-1-benzothiophene.
What is the SMILES notation for 6-fluoro-2-(phenoxymethyl)-1-benzothiophene?
The canonical SMILES for 6-fluoro-2-(phenoxymethyl)-1-benzothiophene is Fc1ccc2cc(COc3ccccc3)sc2c1.
What is the InChIKey of 6-fluoro-2-(phenoxymethyl)-1-benzothiophene?
The InChIKey is AZHPMJMBVUGWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FOS/c16-12-7-6-11-8-14(18-15(11)9-12)10-17-13-4-2-1-3-5-13/h1-9H,10H2.
What are the key properties of 6-fluoro-2-(phenoxymethyl)-1-benzothiophene?
6-fluoro-2-(phenoxymethyl)-1-benzothiophene has a molecular weight of 258.32 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(phenoxymethyl)-1-benzothiophene is sourced from PubChem (CID 117179780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).