7-(bromomethyl)-3-fluoro-6-iodo-1-benzothiophene

C9H5BrFIS — CID 130914557

IUPAC7-(bromomethyl)-3-fluoro-6-iodo-1-benzothiophene
SMILESFc1csc2c(CBr)c(I)ccc12
InChIInChI=1S/C9H5BrFIS/c10-3-6-8(12)2-1-5-7(11)4-13-9(5)6/h1-2,4H,3H2
InChIKeyZNRRWZAOLUPBOM-UHFFFAOYSA-N
MW371.01 g/mol
LogP4.54
Rot. Bonds1

About 7-(bromomethyl)-3-fluoro-6-iodo-1-benzothiophene

7-(bromomethyl)-3-fluoro-6-iodo-1-benzothiophene (PubChem CID 130914557) has the molecular formula C9H5BrFIS and a molecular weight of 371.01 g/mol. Its IUPAC name is 7-(bromomethyl)-3-fluoro-6-iodo-1-benzothiophene.

Molecular Properties

Compound Name7-(bromomethyl)-3-fluoro-6-iodo-1-benzothiophene
PubChem CID130914557
Molecular FormulaC9H5BrFIS
Molecular Weight371.01 g/mol
Exact Mass369.83
IUPAC Name7-(bromomethyl)-3-fluoro-6-iodo-1-benzothiophene
SMILESFc1csc2c(CBr)c(I)ccc12
InChIInChI=1S/C9H5BrFIS/c10-3-6-8(12)2-1-5-7(11)4-13-9(5)6/h1-2,4H,3H2
InChIKeyZNRRWZAOLUPBOM-UHFFFAOYSA-N
XLogP4.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.01
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[7-(bromomethyl)-3-fluoro-1-benzothiophen-6-yl]methanol
CID 130878455
3-fluoro-7-iodo-1-benzothiophene-6-thiol
CID 131123099
(6-amino-3-fluoro-1-benzothiophen-7-yl)methanol
CID 130788571
7-ethyl-6-iodo-3-methylsulfanyl-1-benzothiophene
CID 130854627
5-(bromomethyl)-3-fluoro-6-iodo-1-benzothiophene
CID 130941891
7-(chloromethyl)-6-iodo-1-benzothiophen-3-ol
CID 130971126
3-bromo-7-(bromomethyl)-1-benzothiophen-6-ol
CID 131060149
3-bromo-4-(bromomethyl)-5-iodo-1-benzothiophene
CID 130821086
4-ethyl-3-fluoro-5-iodo-1-benzothiophene
CID 130816872
6-(bromomethyl)-7-chloro-3-iodo-1-benzothiophene
CID 131053609
1-bromo-2-(bromomethyl)-3-fluoro-4-iodobenzene
CID 131331874
2-(3,7-difluoro-1-benzothiophen-6-yl)acetonitrile
CID 131053864

Frequently Asked Questions

What is the IUPAC name of 7-(bromomethyl)-3-fluoro-6-iodo-1-benzothiophene?
The IUPAC name of 7-(bromomethyl)-3-fluoro-6-iodo-1-benzothiophene (CID 130914557) is 7-(bromomethyl)-3-fluoro-6-iodo-1-benzothiophene.
What is the SMILES notation for 7-(bromomethyl)-3-fluoro-6-iodo-1-benzothiophene?
The canonical SMILES for 7-(bromomethyl)-3-fluoro-6-iodo-1-benzothiophene is Fc1csc2c(CBr)c(I)ccc12.
What is the InChIKey of 7-(bromomethyl)-3-fluoro-6-iodo-1-benzothiophene?
The InChIKey is ZNRRWZAOLUPBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrFIS/c10-3-6-8(12)2-1-5-7(11)4-13-9(5)6/h1-2,4H,3H2.
What are the key properties of 7-(bromomethyl)-3-fluoro-6-iodo-1-benzothiophene?
7-(bromomethyl)-3-fluoro-6-iodo-1-benzothiophene has a molecular weight of 371.01 g/mol, XLogP of 4.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(bromomethyl)-3-fluoro-6-iodo-1-benzothiophene is sourced from PubChem (CID 130914557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).