4-bromo-7-chloro-6-fluoro-1-benzothiophene

C8H3BrClFS — CID 130792213

IUPAC4-bromo-7-chloro-6-fluoro-1-benzothiophene
SMILESFc1cc(Br)c2ccsc2c1Cl
InChIInChI=1S/C8H3BrClFS/c9-5-3-6(11)7(10)8-4(5)1-2-12-8/h1-3H
InChIKeySLJZNQXDTAVFLV-UHFFFAOYSA-N
MW265.53 g/mol
LogP4.46
Rot. Bonds

About 4-bromo-7-chloro-6-fluoro-1-benzothiophene

4-bromo-7-chloro-6-fluoro-1-benzothiophene (PubChem CID 130792213) has the molecular formula C8H3BrClFS and a molecular weight of 265.53 g/mol. Its IUPAC name is 4-bromo-7-chloro-6-fluoro-1-benzothiophene.

Molecular Properties

Compound Name4-bromo-7-chloro-6-fluoro-1-benzothiophene
PubChem CID130792213
Molecular FormulaC8H3BrClFS
Molecular Weight265.53 g/mol
Exact Mass263.88
IUPAC Name4-bromo-7-chloro-6-fluoro-1-benzothiophene
SMILESFc1cc(Br)c2ccsc2c1Cl
InChIInChI=1S/C8H3BrClFS/c9-5-3-6(11)7(10)8-4(5)1-2-12-8/h1-3H
InChIKeySLJZNQXDTAVFLV-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-7-chloro-6-fluoro-1-benzothiophene?
The IUPAC name of 4-bromo-7-chloro-6-fluoro-1-benzothiophene (CID 130792213) is 4-bromo-7-chloro-6-fluoro-1-benzothiophene.
What is the SMILES notation for 4-bromo-7-chloro-6-fluoro-1-benzothiophene?
The canonical SMILES for 4-bromo-7-chloro-6-fluoro-1-benzothiophene is Fc1cc(Br)c2ccsc2c1Cl.
What is the InChIKey of 4-bromo-7-chloro-6-fluoro-1-benzothiophene?
The InChIKey is SLJZNQXDTAVFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrClFS/c9-5-3-6(11)7(10)8-4(5)1-2-12-8/h1-3H.
What are the key properties of 4-bromo-7-chloro-6-fluoro-1-benzothiophene?
4-bromo-7-chloro-6-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 4-bromo-7-chloro-6-fluoro-1-benzothiophene is sourced from PubChem (CID 130792213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).