6-bromo-2-chloro-3-fluoro-1-benzothiophene

C8H3BrClFS — CID 129056777

IUPAC6-bromo-2-chloro-3-fluoro-1-benzothiophene
SMILESFc1c(Cl)sc2cc(Br)ccc12
InChIInChI=1S/C8H3BrClFS/c9-4-1-2-5-6(3-4)12-8(10)7(5)11/h1-3H
InChIKeySGUXPKDAJOHICM-UHFFFAOYSA-N
MW265.53 g/mol
LogP4.46
Rot. Bonds

About 6-bromo-2-chloro-3-fluoro-1-benzothiophene

6-bromo-2-chloro-3-fluoro-1-benzothiophene (PubChem CID 129056777) has the molecular formula C8H3BrClFS and a molecular weight of 265.53 g/mol. Its IUPAC name is 6-bromo-2-chloro-3-fluoro-1-benzothiophene.

Molecular Properties

Compound Name6-bromo-2-chloro-3-fluoro-1-benzothiophene
PubChem CID129056777
Molecular FormulaC8H3BrClFS
Molecular Weight265.53 g/mol
Exact Mass263.88
IUPAC Name6-bromo-2-chloro-3-fluoro-1-benzothiophene
SMILESFc1c(Cl)sc2cc(Br)ccc12
InChIInChI=1S/C8H3BrClFS/c9-4-1-2-5-6(3-4)12-8(10)7(5)11/h1-3H
InChIKeySGUXPKDAJOHICM-UHFFFAOYSA-N
XLogP4.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.53
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-chloro-3-fluoro-1-benzothiophene?
The IUPAC name of 6-bromo-2-chloro-3-fluoro-1-benzothiophene (CID 129056777) is 6-bromo-2-chloro-3-fluoro-1-benzothiophene.
What is the SMILES notation for 6-bromo-2-chloro-3-fluoro-1-benzothiophene?
The canonical SMILES for 6-bromo-2-chloro-3-fluoro-1-benzothiophene is Fc1c(Cl)sc2cc(Br)ccc12.
What is the InChIKey of 6-bromo-2-chloro-3-fluoro-1-benzothiophene?
The InChIKey is SGUXPKDAJOHICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrClFS/c9-4-1-2-5-6(3-4)12-8(10)7(5)11/h1-3H.
What are the key properties of 6-bromo-2-chloro-3-fluoro-1-benzothiophene?
6-bromo-2-chloro-3-fluoro-1-benzothiophene has a molecular weight of 265.53 g/mol, XLogP of 4.46, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-chloro-3-fluoro-1-benzothiophene is sourced from PubChem (CID 129056777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).