6-chloro-5-fluoro-1-benzothiophene

C8H4ClFS — CID 91807232

IUPAC6-chloro-5-fluoro-1-benzothiophene
SMILESFc1cc2ccsc2cc1Cl
InChIInChI=1S/C8H4ClFS/c9-6-4-8-5(1-2-11-8)3-7(6)10/h1-4H
InChIKeyXEYIQLAUQLFERG-UHFFFAOYSA-N
MW186.64 g/mol
LogP3.69
Rot. Bonds

About 6-chloro-5-fluoro-1-benzothiophene

6-chloro-5-fluoro-1-benzothiophene (PubChem CID 91807232) has the molecular formula C8H4ClFS and a molecular weight of 186.64 g/mol. Its IUPAC name is 6-chloro-5-fluoro-1-benzothiophene.

Molecular Properties

Compound Name6-chloro-5-fluoro-1-benzothiophene
PubChem CID91807232
Molecular FormulaC8H4ClFS
Molecular Weight186.64 g/mol
Exact Mass185.97
IUPAC Name6-chloro-5-fluoro-1-benzothiophene
SMILESFc1cc2ccsc2cc1Cl
InChIInChI=1S/C8H4ClFS/c9-6-4-8-5(1-2-11-8)3-7(6)10/h1-4H
InChIKeyXEYIQLAUQLFERG-UHFFFAOYSA-N
XLogP3.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-fluoro-1-benzothiophene?
The IUPAC name of 6-chloro-5-fluoro-1-benzothiophene (CID 91807232) is 6-chloro-5-fluoro-1-benzothiophene.
What is the SMILES notation for 6-chloro-5-fluoro-1-benzothiophene?
The canonical SMILES for 6-chloro-5-fluoro-1-benzothiophene is Fc1cc2ccsc2cc1Cl.
What is the InChIKey of 6-chloro-5-fluoro-1-benzothiophene?
The InChIKey is XEYIQLAUQLFERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClFS/c9-6-4-8-5(1-2-11-8)3-7(6)10/h1-4H.
What are the key properties of 6-chloro-5-fluoro-1-benzothiophene?
6-chloro-5-fluoro-1-benzothiophene has a molecular weight of 186.64 g/mol, XLogP of 3.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-fluoro-1-benzothiophene is sourced from PubChem (CID 91807232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).