3-fluoro-5-iodo-1-benzothiophen-6-amine

C8H5FINS — CID 130788932

IUPAC3-fluoro-5-iodo-1-benzothiophen-6-amine
SMILESNc1cc2scc(F)c2cc1I
InChIInChI=1S/C8H5FINS/c9-5-3-12-8-2-7(11)6(10)1-4(5)8/h1-3H,11H2
InChIKeyHQOMAYVDELMYTK-UHFFFAOYSA-N
MW293.10 g/mol
LogP3.23
Rot. Bonds

About 3-fluoro-5-iodo-1-benzothiophen-6-amine

3-fluoro-5-iodo-1-benzothiophen-6-amine (PubChem CID 130788932) has the molecular formula C8H5FINS and a molecular weight of 293.10 g/mol. Its IUPAC name is 3-fluoro-5-iodo-1-benzothiophen-6-amine.

Molecular Properties

Compound Name3-fluoro-5-iodo-1-benzothiophen-6-amine
PubChem CID130788932
Molecular FormulaC8H5FINS
Molecular Weight293.10 g/mol
Exact Mass292.92
IUPAC Name3-fluoro-5-iodo-1-benzothiophen-6-amine
SMILESNc1cc2scc(F)c2cc1I
InChIInChI=1S/C8H5FINS/c9-5-3-12-8-2-7(11)6(10)1-4(5)8/h1-3H,11H2
InChIKeyHQOMAYVDELMYTK-UHFFFAOYSA-N
XLogP3.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.10
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-iodo-1-benzothiophen-6-amine?
The IUPAC name of 3-fluoro-5-iodo-1-benzothiophen-6-amine (CID 130788932) is 3-fluoro-5-iodo-1-benzothiophen-6-amine.
What is the SMILES notation for 3-fluoro-5-iodo-1-benzothiophen-6-amine?
The canonical SMILES for 3-fluoro-5-iodo-1-benzothiophen-6-amine is Nc1cc2scc(F)c2cc1I.
What is the InChIKey of 3-fluoro-5-iodo-1-benzothiophen-6-amine?
The InChIKey is HQOMAYVDELMYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FINS/c9-5-3-12-8-2-7(11)6(10)1-4(5)8/h1-3H,11H2.
What are the key properties of 3-fluoro-5-iodo-1-benzothiophen-6-amine?
3-fluoro-5-iodo-1-benzothiophen-6-amine has a molecular weight of 293.10 g/mol, XLogP of 3.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-iodo-1-benzothiophen-6-amine is sourced from PubChem (CID 130788932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).