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

C10H8FIS — CID 130898645

IUPAC6-ethyl-5-fluoro-4-iodo-1-benzothiophene
SMILESCCc1cc2sccc2c(I)c1F
InChIInChI=1S/C10H8FIS/c1-2-6-5-8-7(3-4-13-8)10(12)9(6)11/h3-5H,2H2,1H3
InChIKeyCVZZFJGSNLRACS-UHFFFAOYSA-N
MW306.14 g/mol
LogP4.21
Rot. Bonds1

About 6-ethyl-5-fluoro-4-iodo-1-benzothiophene

6-ethyl-5-fluoro-4-iodo-1-benzothiophene (PubChem CID 130898645) has the molecular formula C10H8FIS and a molecular weight of 306.14 g/mol. Its IUPAC name is 6-ethyl-5-fluoro-4-iodo-1-benzothiophene.

Molecular Properties

Compound Name6-ethyl-5-fluoro-4-iodo-1-benzothiophene
PubChem CID130898645
Molecular FormulaC10H8FIS
Molecular Weight306.14 g/mol
Exact Mass305.94
IUPAC Name6-ethyl-5-fluoro-4-iodo-1-benzothiophene
SMILESCCc1cc2sccc2c(I)c1F
InChIInChI=1S/C10H8FIS/c1-2-6-5-8-7(3-4-13-8)10(12)9(6)11/h3-5H,2H2,1H3
InChIKeyCVZZFJGSNLRACS-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'}

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Related Compounds

6-(bromomethyl)-5-ethyl-4-iodo-1-benzothiophene
CID 130955965
5-ethyl-4-iodo-6-methyl-1-benzothiophene
CID 130827103
5-chloro-6-ethyl-1-benzothiophene-4-carbaldehyde
CID 130984991
4-ethyl-5-iodo-6-methylsulfanyl-1-benzothiophene
CID 131123133
5-fluoro-6-iodo-4-methyl-1-benzothiophene
CID 131123102
6-(bromomethyl)-4-iodo-1-benzothiophene-5-carbaldehyde
CID 131014331
4-chloro-6-ethyl-1-benzothiophene-5-thiol
CID 130956759
4-chloro-6-(chloromethyl)-5-iodo-1-benzothiophene
CID 131138214
6-(bromomethyl)-4-chloro-5-fluoro-1-benzothiophene
CID 130803998
4-ethyl-6-iodo-1-benzothiophen-5-amine
CID 130866246
4-ethyl-6-(hydroxymethyl)-1-benzothiophen-5-ol
CID 131196602
4-iodo-1-benzothiophene-5,6-diol
CID 131034090

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-fluoro-4-iodo-1-benzothiophene?
The IUPAC name of 6-ethyl-5-fluoro-4-iodo-1-benzothiophene (CID 130898645) is 6-ethyl-5-fluoro-4-iodo-1-benzothiophene.
What is the SMILES notation for 6-ethyl-5-fluoro-4-iodo-1-benzothiophene?
The canonical SMILES for 6-ethyl-5-fluoro-4-iodo-1-benzothiophene is CCc1cc2sccc2c(I)c1F.
What is the InChIKey of 6-ethyl-5-fluoro-4-iodo-1-benzothiophene?
The InChIKey is CVZZFJGSNLRACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FIS/c1-2-6-5-8-7(3-4-13-8)10(12)9(6)11/h3-5H,2H2,1H3.
What are the key properties of 6-ethyl-5-fluoro-4-iodo-1-benzothiophene?
6-ethyl-5-fluoro-4-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 6-ethyl-5-fluoro-4-iodo-1-benzothiophene is sourced from PubChem (CID 130898645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).