5-chloro-3-fluoro-1-benzothiophene

C8H4ClFS — CID 70228348

IUPAC5-chloro-3-fluoro-1-benzothiophene
SMILESFc1csc2ccc(Cl)cc12
InChIInChI=1S/C8H4ClFS/c9-5-1-2-8-6(3-5)7(10)4-11-8/h1-4H
InChIKeyHINIQOMMGBMIBU-UHFFFAOYSA-N
MW186.64 g/mol
LogP3.69
Rot. Bonds

About 5-chloro-3-fluoro-1-benzothiophene

5-chloro-3-fluoro-1-benzothiophene (PubChem CID 70228348) has the molecular formula C8H4ClFS and a molecular weight of 186.64 g/mol. Its IUPAC name is 5-chloro-3-fluoro-1-benzothiophene.

Molecular Properties

Compound Name5-chloro-3-fluoro-1-benzothiophene
PubChem CID70228348
Molecular FormulaC8H4ClFS
Molecular Weight186.64 g/mol
Exact Mass185.97
IUPAC Name5-chloro-3-fluoro-1-benzothiophene
SMILESFc1csc2ccc(Cl)cc12
InChIInChI=1S/C8H4ClFS/c9-5-1-2-8-6(3-5)7(10)4-11-8/h1-4H
InChIKeyHINIQOMMGBMIBU-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 5-chloro-3-fluoro-1-benzothiophene?
The IUPAC name of 5-chloro-3-fluoro-1-benzothiophene (CID 70228348) is 5-chloro-3-fluoro-1-benzothiophene.
What is the SMILES notation for 5-chloro-3-fluoro-1-benzothiophene?
The canonical SMILES for 5-chloro-3-fluoro-1-benzothiophene is Fc1csc2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-3-fluoro-1-benzothiophene?
The InChIKey is HINIQOMMGBMIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClFS/c9-5-1-2-8-6(3-5)7(10)4-11-8/h1-4H.
What are the key properties of 5-chloro-3-fluoro-1-benzothiophene?
5-chloro-3-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 5-chloro-3-fluoro-1-benzothiophene is sourced from PubChem (CID 70228348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).