7-fluoro-6-iodo-1-benzothiophen-2-amine

C8H5FINS — CID 130878508

IUPAC7-fluoro-6-iodo-1-benzothiophen-2-amine
SMILESNc1cc2ccc(I)c(F)c2s1
InChIInChI=1S/C8H5FINS/c9-7-5(10)2-1-4-3-6(11)12-8(4)7/h1-3H,11H2
InChIKeyPKZSSDJCAWNHFD-UHFFFAOYSA-N
MW293.10 g/mol
LogP3.23
Rot. Bonds

About 7-fluoro-6-iodo-1-benzothiophen-2-amine

7-fluoro-6-iodo-1-benzothiophen-2-amine (PubChem CID 130878508) has the molecular formula C8H5FINS and a molecular weight of 293.10 g/mol. Its IUPAC name is 7-fluoro-6-iodo-1-benzothiophen-2-amine.

Molecular Properties

Compound Name7-fluoro-6-iodo-1-benzothiophen-2-amine
PubChem CID130878508
Molecular FormulaC8H5FINS
Molecular Weight293.10 g/mol
Exact Mass292.92
IUPAC Name7-fluoro-6-iodo-1-benzothiophen-2-amine
SMILESNc1cc2ccc(I)c(F)c2s1
InChIInChI=1S/C8H5FINS/c9-7-5(10)2-1-4-3-6(11)12-8(4)7/h1-3H,11H2
InChIKeyPKZSSDJCAWNHFD-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': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-iodo-1-benzothiophen-2-amine?
The IUPAC name of 7-fluoro-6-iodo-1-benzothiophen-2-amine (CID 130878508) is 7-fluoro-6-iodo-1-benzothiophen-2-amine.
What is the SMILES notation for 7-fluoro-6-iodo-1-benzothiophen-2-amine?
The canonical SMILES for 7-fluoro-6-iodo-1-benzothiophen-2-amine is Nc1cc2ccc(I)c(F)c2s1.
What is the InChIKey of 7-fluoro-6-iodo-1-benzothiophen-2-amine?
The InChIKey is PKZSSDJCAWNHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FINS/c9-7-5(10)2-1-4-3-6(11)12-8(4)7/h1-3H,11H2.
What are the key properties of 7-fluoro-6-iodo-1-benzothiophen-2-amine?
7-fluoro-6-iodo-1-benzothiophen-2-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 7-fluoro-6-iodo-1-benzothiophen-2-amine is sourced from PubChem (CID 130878508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).