5-ethyl-4-fluoro-3-iodo-1-benzothiophene

C10H8FIS — CID 130870716

IUPAC5-ethyl-4-fluoro-3-iodo-1-benzothiophene
SMILESCCc1ccc2scc(I)c2c1F
InChIInChI=1S/C10H8FIS/c1-2-6-3-4-8-9(10(6)11)7(12)5-13-8/h3-5H,2H2,1H3
InChIKeyZVWLKNQCJLNUOC-UHFFFAOYSA-N
MW306.14 g/mol
LogP4.21
Rot. Bonds1

About 5-ethyl-4-fluoro-3-iodo-1-benzothiophene

5-ethyl-4-fluoro-3-iodo-1-benzothiophene (PubChem CID 130870716) has the molecular formula C10H8FIS and a molecular weight of 306.14 g/mol. Its IUPAC name is 5-ethyl-4-fluoro-3-iodo-1-benzothiophene.

Molecular Properties

Compound Name5-ethyl-4-fluoro-3-iodo-1-benzothiophene
PubChem CID130870716
Molecular FormulaC10H8FIS
Molecular Weight306.14 g/mol
Exact Mass305.94
IUPAC Name5-ethyl-4-fluoro-3-iodo-1-benzothiophene
SMILESCCc1ccc2scc(I)c2c1F
InChIInChI=1S/C10H8FIS/c1-2-6-3-4-8-9(10(6)11)7(12)5-13-8/h3-5H,2H2,1H3
InChIKeyZVWLKNQCJLNUOC-UHFFFAOYSA-N
XLogP4.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.14
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-ethyl-4-fluoro-3-iodo-1-benzothiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-4-fluoro-1-benzothiophen-5-amine
CID 130956296
3-ethyl-5-iodo-4-methylsulfanyl-1-benzothiophene
CID 131223357
4-ethyl-3-fluoro-5-iodo-1-benzothiophene
CID 130816872
3-ethyl-5-fluoro-1-benzothiophene-4-carbonitrile
CID 130951900
3-(bromomethyl)-5-ethyl-1-benzothiophen-4-amine
CID 130826444
3-ethyl-5-iodo-1-benzothiophene
CID 20678685
4-ethyl-3-fluoro-1-benzothiophene-5-carbaldehyde
CID 131146483
4-(chloromethyl)-3-iodo-1-benzothiophene-5-carbaldehyde
CID 130971113
5-bromo-3-iodo-1-benzothiophen-4-ol
CID 130901172
4-(chloromethyl)-3-ethyl-1-benzothiophen-5-amine
CID 130839166
(5-ethyl-3-iodo-1-benzothiophen-6-yl)methanol
CID 130816909
6-ethyl-5-fluoro-4-iodo-1-benzothiophene
CID 130898645

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-fluoro-3-iodo-1-benzothiophene?
The IUPAC name of 5-ethyl-4-fluoro-3-iodo-1-benzothiophene (CID 130870716) is 5-ethyl-4-fluoro-3-iodo-1-benzothiophene.
What is the SMILES notation for 5-ethyl-4-fluoro-3-iodo-1-benzothiophene?
The canonical SMILES for 5-ethyl-4-fluoro-3-iodo-1-benzothiophene is CCc1ccc2scc(I)c2c1F.
What is the InChIKey of 5-ethyl-4-fluoro-3-iodo-1-benzothiophene?
The InChIKey is ZVWLKNQCJLNUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FIS/c1-2-6-3-4-8-9(10(6)11)7(12)5-13-8/h3-5H,2H2,1H3.
What are the key properties of 5-ethyl-4-fluoro-3-iodo-1-benzothiophene?
5-ethyl-4-fluoro-3-iodo-1-benzothiophene has a molecular weight of 306.14 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-fluoro-3-iodo-1-benzothiophene is sourced from PubChem (CID 130870716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).