4-fluoro-3-iodo-1-benzothiophen-2-amine

C8H5FINS — CID 130788725

IUPAC4-fluoro-3-iodo-1-benzothiophen-2-amine
SMILESNc1sc2cccc(F)c2c1I
InChIInChI=1S/C8H5FINS/c9-4-2-1-3-5-6(4)7(10)8(11)12-5/h1-3H,11H2
InChIKeyGANYTBXVEUWXKO-UHFFFAOYSA-N
MW293.10 g/mol
LogP3.23
Rot. Bonds

About 4-fluoro-3-iodo-1-benzothiophen-2-amine

4-fluoro-3-iodo-1-benzothiophen-2-amine (PubChem CID 130788725) has the molecular formula C8H5FINS and a molecular weight of 293.10 g/mol. Its IUPAC name is 4-fluoro-3-iodo-1-benzothiophen-2-amine.

Molecular Properties

Compound Name4-fluoro-3-iodo-1-benzothiophen-2-amine
PubChem CID130788725
Molecular FormulaC8H5FINS
Molecular Weight293.10 g/mol
Exact Mass292.92
IUPAC Name4-fluoro-3-iodo-1-benzothiophen-2-amine
SMILESNc1sc2cccc(F)c2c1I
InChIInChI=1S/C8H5FINS/c9-4-2-1-3-5-6(4)7(10)8(11)12-5/h1-3H,11H2
InChIKeyGANYTBXVEUWXKO-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

2-(4-fluoro-3-iodo-1-benzothiophen-2-yl)acetonitrile
CID 131001500
3-(difluoromethyl)-4-iodo-1-benzothiophen-2-amine
CID 130788534
3,4-difluoro-1-benzothiophen-2-ol
CID 131053776
2,4-difluoro-1-benzothiophene-3-thiol
CID 130971711
3-amino-4-fluoro-N-(4-iodophenyl)-1-benzothiophene-2-carboxamide
CID 79515302
3-amino-4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide
CID 79517181
3-methylsulfanyl-1-benzothiophene-2,4-diamine
CID 131145947
7-fluoro-2,3-diiodo-1-benzothiophene
CID 130925510
(4-fluoro-2-methyl-1-benzothiophen-3-yl)methanol
CID 130855351
3-amino-4-fluoro-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide
CID 79512370
[4-fluoro-3-(propan-2-yloxymethyl)-1-benzothiophen-2-yl]methanamine
CID 62458040
2-iodo-3-methyl-1-benzothiophen-4-amine
CID 130788970

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-iodo-1-benzothiophen-2-amine?
The IUPAC name of 4-fluoro-3-iodo-1-benzothiophen-2-amine (CID 130788725) is 4-fluoro-3-iodo-1-benzothiophen-2-amine.
What is the SMILES notation for 4-fluoro-3-iodo-1-benzothiophen-2-amine?
The canonical SMILES for 4-fluoro-3-iodo-1-benzothiophen-2-amine is Nc1sc2cccc(F)c2c1I.
What is the InChIKey of 4-fluoro-3-iodo-1-benzothiophen-2-amine?
The InChIKey is GANYTBXVEUWXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FINS/c9-4-2-1-3-5-6(4)7(10)8(11)12-5/h1-3H,11H2.
What are the key properties of 4-fluoro-3-iodo-1-benzothiophen-2-amine?
4-fluoro-3-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 4-fluoro-3-iodo-1-benzothiophen-2-amine is sourced from PubChem (CID 130788725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).