7-bromo-5-fluoro-6-iodo-1-benzothiophene

C8H3BrFIS — CID 130955655

IUPAC7-bromo-5-fluoro-6-iodo-1-benzothiophene
SMILESFc1cc2ccsc2c(Br)c1I
InChIInChI=1S/C8H3BrFIS/c9-6-7(11)5(10)3-4-1-2-12-8(4)6/h1-3H
InChIKeyACWMPCJZRIFTSZ-UHFFFAOYSA-N
MW356.99 g/mol
LogP4.41
Rot. Bonds

About 7-bromo-5-fluoro-6-iodo-1-benzothiophene

7-bromo-5-fluoro-6-iodo-1-benzothiophene (PubChem CID 130955655) has the molecular formula C8H3BrFIS and a molecular weight of 356.99 g/mol. Its IUPAC name is 7-bromo-5-fluoro-6-iodo-1-benzothiophene.

Molecular Properties

Compound Name7-bromo-5-fluoro-6-iodo-1-benzothiophene
PubChem CID130955655
Molecular FormulaC8H3BrFIS
Molecular Weight356.99 g/mol
Exact Mass355.82
IUPAC Name7-bromo-5-fluoro-6-iodo-1-benzothiophene
SMILESFc1cc2ccsc2c(Br)c1I
InChIInChI=1S/C8H3BrFIS/c9-6-7(11)5(10)3-4-1-2-12-8(4)6/h1-3H
InChIKeyACWMPCJZRIFTSZ-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.99
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

7-bromo-6-fluoro-1-benzothiophene
CID 22171232
6-bromo-5-(difluoromethyl)-7-fluoro-1-benzothiophene
CID 130987925
5-fluoro-4,7-diiodo-1-benzothiophene
CID 130788097
6-fluoro-4,7-diiodo-1-benzothiophene
CID 130883078
5-fluoro-6-sulfanyl-1-benzothiophen-7-ol
CID 131196097
6-(bromomethyl)-7-chloro-5-fluoro-1-benzothiophene
CID 130805698
6-(bromomethyl)-5-fluoro-1-benzothiophen-7-ol
CID 130878622
6-fluoro-7-iodo-5-nitro-1-benzothiophene
CID 131219074
7-bromo-6-chloro-1-benzothiophene-5-thiol
CID 131030970
5-fluoro-7-methoxy-1-benzothiophene-6-thiol
CID 131150647
5-(bromomethyl)-7-iodo-1-benzothiophene-6-thiol
CID 130956690
2-bromo-1,4-difluoro-3-iodobenzene
CID 50998401

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-fluoro-6-iodo-1-benzothiophene?
The IUPAC name of 7-bromo-5-fluoro-6-iodo-1-benzothiophene (CID 130955655) is 7-bromo-5-fluoro-6-iodo-1-benzothiophene.
What is the SMILES notation for 7-bromo-5-fluoro-6-iodo-1-benzothiophene?
The canonical SMILES for 7-bromo-5-fluoro-6-iodo-1-benzothiophene is Fc1cc2ccsc2c(Br)c1I.
What is the InChIKey of 7-bromo-5-fluoro-6-iodo-1-benzothiophene?
The InChIKey is ACWMPCJZRIFTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrFIS/c9-6-7(11)5(10)3-4-1-2-12-8(4)6/h1-3H.
What are the key properties of 7-bromo-5-fluoro-6-iodo-1-benzothiophene?
7-bromo-5-fluoro-6-iodo-1-benzothiophene has a molecular weight of 356.99 g/mol, XLogP of 4.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-fluoro-6-iodo-1-benzothiophene is sourced from PubChem (CID 130955655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).