6-fluoro-5-iodo-1-benzothiophen-2-amine

C8H5FINS — CID 130788727

IUPAC6-fluoro-5-iodo-1-benzothiophen-2-amine
SMILESNc1cc2cc(I)c(F)cc2s1
InChIInChI=1S/C8H5FINS/c9-5-3-7-4(1-6(5)10)2-8(11)12-7/h1-3H,11H2
InChIKeyZWDGXJRKBYPSEA-UHFFFAOYSA-N
MW293.10 g/mol
LogP3.23
Rot. Bonds

About 6-fluoro-5-iodo-1-benzothiophen-2-amine

6-fluoro-5-iodo-1-benzothiophen-2-amine (PubChem CID 130788727) has the molecular formula C8H5FINS and a molecular weight of 293.10 g/mol. Its IUPAC name is 6-fluoro-5-iodo-1-benzothiophen-2-amine.

Molecular Properties

Compound Name6-fluoro-5-iodo-1-benzothiophen-2-amine
PubChem CID130788727
Molecular FormulaC8H5FINS
Molecular Weight293.10 g/mol
Exact Mass292.92
IUPAC Name6-fluoro-5-iodo-1-benzothiophen-2-amine
SMILESNc1cc2cc(I)c(F)cc2s1
InChIInChI=1S/C8H5FINS/c9-5-3-7-4(1-6(5)10)2-8(11)12-7/h1-3H,11H2
InChIKeyZWDGXJRKBYPSEA-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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Related Compounds

6-fluoro-1-benzothiophen-2-amine
CID 82597319
7H-thieno[3,2-f]indol-2-amine
CID 69035471
7-fluoro-6-iodo-1-benzothiophen-2-amine
CID 130878508
1-benzothiophen-2-amine;hydrochloride
CID 66906726
1-benzothiophene-2,5-diamine
CID 89101949
6-(chloromethyl)-1-benzothiophene-2,5-diamine
CID 130788528
6-chloro-5-methyl-1-benzothiophen-2-amine
CID 130805490
5-(trifluoromethyl)-1-benzothiophen-2-amine
CID 134691946
2,5-diamino-1-benzothiophene-6-carbonitrile
CID 130839073
[1]benzothiolo[6,5-f][1]benzothiol-7-amine
CID 129178000
16-methyl-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-amine
CID 138592675
2-bromo-5,6-difluoro-1-benzothiophene
CID 130866221

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-iodo-1-benzothiophen-2-amine?
The IUPAC name of 6-fluoro-5-iodo-1-benzothiophen-2-amine (CID 130788727) is 6-fluoro-5-iodo-1-benzothiophen-2-amine.
What is the SMILES notation for 6-fluoro-5-iodo-1-benzothiophen-2-amine?
The canonical SMILES for 6-fluoro-5-iodo-1-benzothiophen-2-amine is Nc1cc2cc(I)c(F)cc2s1.
What is the InChIKey of 6-fluoro-5-iodo-1-benzothiophen-2-amine?
The InChIKey is ZWDGXJRKBYPSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FINS/c9-5-3-7-4(1-6(5)10)2-8(11)12-7/h1-3H,11H2.
What are the key properties of 6-fluoro-5-iodo-1-benzothiophen-2-amine?
6-fluoro-5-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 6-fluoro-5-iodo-1-benzothiophen-2-amine is sourced from PubChem (CID 130788727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).