7-(5-fluoro-2-methylphenyl)-1-benzothiophene

C15H11FS — CID 141220545

IUPAC7-(5-fluoro-2-methylphenyl)-1-benzothiophene
SMILESCc1ccc(F)cc1-c1cccc2ccsc12
InChIInChI=1S/C15H11FS/c1-10-5-6-12(16)9-14(10)13-4-2-3-11-7-8-17-15(11)13/h2-9H,1H3
InChIKeySQEOTYRJXFFSKU-UHFFFAOYSA-N
MW242.32 g/mol
LogP5.02
Rot. Bonds1

About 7-(5-fluoro-2-methylphenyl)-1-benzothiophene

7-(5-fluoro-2-methylphenyl)-1-benzothiophene (PubChem CID 141220545) has the molecular formula C15H11FS and a molecular weight of 242.32 g/mol. Its IUPAC name is 7-(5-fluoro-2-methylphenyl)-1-benzothiophene.

Molecular Properties

Compound Name7-(5-fluoro-2-methylphenyl)-1-benzothiophene
PubChem CID141220545
Molecular FormulaC15H11FS
Molecular Weight242.32 g/mol
Exact Mass242.06
IUPAC Name7-(5-fluoro-2-methylphenyl)-1-benzothiophene
SMILESCc1ccc(F)cc1-c1cccc2ccsc12
InChIInChI=1S/C15H11FS/c1-10-5-6-12(16)9-14(10)13-4-2-3-11-7-8-17-15(11)13/h2-9H,1H3
InChIKeySQEOTYRJXFFSKU-UHFFFAOYSA-N
XLogP5.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.32
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-(5-fluoro-2-methylphenyl)-1-benzothiophene?
The IUPAC name of 7-(5-fluoro-2-methylphenyl)-1-benzothiophene (CID 141220545) is 7-(5-fluoro-2-methylphenyl)-1-benzothiophene.
What is the SMILES notation for 7-(5-fluoro-2-methylphenyl)-1-benzothiophene?
The canonical SMILES for 7-(5-fluoro-2-methylphenyl)-1-benzothiophene is Cc1ccc(F)cc1-c1cccc2ccsc12.
What is the InChIKey of 7-(5-fluoro-2-methylphenyl)-1-benzothiophene?
The InChIKey is SQEOTYRJXFFSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FS/c1-10-5-6-12(16)9-14(10)13-4-2-3-11-7-8-17-15(11)13/h2-9H,1H3.
What are the key properties of 7-(5-fluoro-2-methylphenyl)-1-benzothiophene?
7-(5-fluoro-2-methylphenyl)-1-benzothiophene has a molecular weight of 242.32 g/mol, XLogP of 5.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-fluoro-2-methylphenyl)-1-benzothiophene is sourced from PubChem (CID 141220545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).