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

C10H8FIS — CID 130816872

IUPAC4-ethyl-3-fluoro-5-iodo-1-benzothiophene
SMILESCCc1c(I)ccc2scc(F)c12
InChIInChI=1S/C10H8FIS/c1-2-6-8(12)3-4-9-10(6)7(11)5-13-9/h3-5H,2H2,1H3
InChIKeyKXBNRLFKNBAOKQ-UHFFFAOYSA-N
MW306.14 g/mol
LogP4.21
Rot. Bonds1

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

4-ethyl-3-fluoro-5-iodo-1-benzothiophene (PubChem CID 130816872) has the molecular formula C10H8FIS and a molecular weight of 306.14 g/mol. Its IUPAC name is 4-ethyl-3-fluoro-5-iodo-1-benzothiophene.

Molecular Properties

Compound Name4-ethyl-3-fluoro-5-iodo-1-benzothiophene
PubChem CID130816872
Molecular FormulaC10H8FIS
Molecular Weight306.14 g/mol
Exact Mass305.94
IUPAC Name4-ethyl-3-fluoro-5-iodo-1-benzothiophene
SMILESCCc1c(I)ccc2scc(F)c12
InChIInChI=1S/C10H8FIS/c1-2-6-8(12)3-4-9-10(6)7(11)5-13-9/h3-5H,2H2,1H3
InChIKeyKXBNRLFKNBAOKQ-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

4-ethyl-3-fluoro-1-benzothiophene-5-carbaldehyde
CID 131146483
5-ethyl-4-fluoro-3-iodo-1-benzothiophene
CID 130870716
3-ethyl-1-fluoro-2,4-diiodobenzene
CID 118802109
3-ethyl-5-iodo-4-methylsulfanyl-1-benzothiophene
CID 131223357
3-bromo-4-(bromomethyl)-5-iodo-1-benzothiophene
CID 130821086
2-ethyl-1,3-difluoro-4-iodobenzene
CID 149278031
6-ethoxy-3-fluoro-4-iodo-1-benzothiophene
CID 131123992
5-ethoxy-3-fluoro-1-benzothiophene-4-thiol
CID 130792743
3-fluoro-4-methyl-1-benzothiophen-5-amine
CID 131075761
1-chloro-3-ethyl-2-fluoro-4-iodobenzene
CID 164893690
5-chloro-4-ethyl-3-methoxy-1-benzothiophene
CID 131096691
7-ethyl-6-iodo-3-methylsulfanyl-1-benzothiophene
CID 130854627

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-fluoro-5-iodo-1-benzothiophene?
The IUPAC name of 4-ethyl-3-fluoro-5-iodo-1-benzothiophene (CID 130816872) is 4-ethyl-3-fluoro-5-iodo-1-benzothiophene.
What is the SMILES notation for 4-ethyl-3-fluoro-5-iodo-1-benzothiophene?
The canonical SMILES for 4-ethyl-3-fluoro-5-iodo-1-benzothiophene is CCc1c(I)ccc2scc(F)c12.
What is the InChIKey of 4-ethyl-3-fluoro-5-iodo-1-benzothiophene?
The InChIKey is KXBNRLFKNBAOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FIS/c1-2-6-8(12)3-4-9-10(6)7(11)5-13-9/h3-5H,2H2,1H3.
What are the key properties of 4-ethyl-3-fluoro-5-iodo-1-benzothiophene?
4-ethyl-3-fluoro-5-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 4-ethyl-3-fluoro-5-iodo-1-benzothiophene is sourced from PubChem (CID 130816872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).