6-(4-fluorophenyl)-2-propyl-1-benzothiophene

C17H15FS — CID 134408894

IUPAC6-(4-fluorophenyl)-2-propyl-1-benzothiophene
SMILESCCCc1cc2ccc(-c3ccc(F)cc3)cc2s1
InChIInChI=1S/C17H15FS/c1-2-3-16-10-14-5-4-13(11-17(14)19-16)12-6-8-15(18)9-7-12/h4-11H,2-3H2,1H3
InChIKeyLSKKVTFBBHQSJA-UHFFFAOYSA-N
MW270.37 g/mol
LogP5.66
Rot. Bonds3

About 6-(4-fluorophenyl)-2-propyl-1-benzothiophene

6-(4-fluorophenyl)-2-propyl-1-benzothiophene (PubChem CID 134408894) has the molecular formula C17H15FS and a molecular weight of 270.37 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-propyl-1-benzothiophene.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-propyl-1-benzothiophene
PubChem CID134408894
Molecular FormulaC17H15FS
Molecular Weight270.37 g/mol
Exact Mass270.09
IUPAC Name6-(4-fluorophenyl)-2-propyl-1-benzothiophene
SMILESCCCc1cc2ccc(-c3ccc(F)cc3)cc2s1
InChIInChI=1S/C17H15FS/c1-2-3-16-10-14-5-4-13(11-17(14)19-16)12-6-8-15(18)9-7-12/h4-11H,2-3H2,1H3
InChIKeyLSKKVTFBBHQSJA-UHFFFAOYSA-N
XLogP5.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.37
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2-propyl-1-benzothiophene?
The IUPAC name of 6-(4-fluorophenyl)-2-propyl-1-benzothiophene (CID 134408894) is 6-(4-fluorophenyl)-2-propyl-1-benzothiophene.
What is the SMILES notation for 6-(4-fluorophenyl)-2-propyl-1-benzothiophene?
The canonical SMILES for 6-(4-fluorophenyl)-2-propyl-1-benzothiophene is CCCc1cc2ccc(-c3ccc(F)cc3)cc2s1.
What is the InChIKey of 6-(4-fluorophenyl)-2-propyl-1-benzothiophene?
The InChIKey is LSKKVTFBBHQSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FS/c1-2-3-16-10-14-5-4-13(11-17(14)19-16)12-6-8-15(18)9-7-12/h4-11H,2-3H2,1H3.
What are the key properties of 6-(4-fluorophenyl)-2-propyl-1-benzothiophene?
6-(4-fluorophenyl)-2-propyl-1-benzothiophene has a molecular weight of 270.37 g/mol, XLogP of 5.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2-propyl-1-benzothiophene is sourced from PubChem (CID 134408894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).