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

C14H8BrFS — CID 57421916

IUPAC6-bromo-2-(4-fluorophenyl)-1-benzothiophene
SMILESFc1ccc(-c2cc3ccc(Br)cc3s2)cc1
InChIInChI=1S/C14H8BrFS/c15-11-4-1-10-7-13(17-14(10)8-11)9-2-5-12(16)6-3-9/h1-8H
InChIKeyLQKZBOWFJPMPKV-UHFFFAOYSA-N
MW307.19 g/mol
LogP5.47
Rot. Bonds1

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

6-bromo-2-(4-fluorophenyl)-1-benzothiophene (PubChem CID 57421916) has the molecular formula C14H8BrFS and a molecular weight of 307.19 g/mol. Its IUPAC name is 6-bromo-2-(4-fluorophenyl)-1-benzothiophene.

Molecular Properties

Compound Name6-bromo-2-(4-fluorophenyl)-1-benzothiophene
PubChem CID57421916
Molecular FormulaC14H8BrFS
Molecular Weight307.19 g/mol
Exact Mass305.95
IUPAC Name6-bromo-2-(4-fluorophenyl)-1-benzothiophene
SMILESFc1ccc(-c2cc3ccc(Br)cc3s2)cc1
InChIInChI=1S/C14H8BrFS/c15-11-4-1-10-7-13(17-14(10)8-11)9-2-5-12(16)6-3-9/h1-8H
InChIKeyLQKZBOWFJPMPKV-UHFFFAOYSA-N
XLogP5.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.19
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(4-fluorophenyl)-1-benzothiophene?
The IUPAC name of 6-bromo-2-(4-fluorophenyl)-1-benzothiophene (CID 57421916) is 6-bromo-2-(4-fluorophenyl)-1-benzothiophene.
What is the SMILES notation for 6-bromo-2-(4-fluorophenyl)-1-benzothiophene?
The canonical SMILES for 6-bromo-2-(4-fluorophenyl)-1-benzothiophene is Fc1ccc(-c2cc3ccc(Br)cc3s2)cc1.
What is the InChIKey of 6-bromo-2-(4-fluorophenyl)-1-benzothiophene?
The InChIKey is LQKZBOWFJPMPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrFS/c15-11-4-1-10-7-13(17-14(10)8-11)9-2-5-12(16)6-3-9/h1-8H.
What are the key properties of 6-bromo-2-(4-fluorophenyl)-1-benzothiophene?
6-bromo-2-(4-fluorophenyl)-1-benzothiophene has a molecular weight of 307.19 g/mol, XLogP of 5.47, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(4-fluorophenyl)-1-benzothiophene is sourced from PubChem (CID 57421916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).