6-ethoxy-3-fluoro-4-iodo-1-benzothiophene

C10H8FIOS — CID 131123992

IUPAC6-ethoxy-3-fluoro-4-iodo-1-benzothiophene
SMILESCCOc1cc(I)c2c(F)csc2c1
InChIInChI=1S/C10H8FIOS/c1-2-13-6-3-8(12)10-7(11)5-14-9(10)4-6/h3-5H,2H2,1H3
InChIKeyDDLDGGMAZVMCJL-UHFFFAOYSA-N
MW322.14 g/mol
LogP4.04
Rot. Bonds2

About 6-ethoxy-3-fluoro-4-iodo-1-benzothiophene

6-ethoxy-3-fluoro-4-iodo-1-benzothiophene (PubChem CID 131123992) has the molecular formula C10H8FIOS and a molecular weight of 322.14 g/mol. Its IUPAC name is 6-ethoxy-3-fluoro-4-iodo-1-benzothiophene.

Molecular Properties

Compound Name6-ethoxy-3-fluoro-4-iodo-1-benzothiophene
PubChem CID131123992
Molecular FormulaC10H8FIOS
Molecular Weight322.14 g/mol
Exact Mass321.93
IUPAC Name6-ethoxy-3-fluoro-4-iodo-1-benzothiophene
SMILESCCOc1cc(I)c2c(F)csc2c1
InChIInChI=1S/C10H8FIOS/c1-2-13-6-3-8(12)10-7(11)5-14-9(10)4-6/h3-5H,2H2,1H3
InChIKeyDDLDGGMAZVMCJL-UHFFFAOYSA-N
XLogP4.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.14
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-ethoxy-3-iodo-1-benzothiophene-4-thiol
CID 131122618
4-ethoxy-3-fluoro-1-benzothiophen-6-ol
CID 130870634
5-ethoxy-2-fluoro-1-iodo-3-methylbenzene
CID 131287027
5-ethoxy-3-fluoro-1-benzothiophene-4-thiol
CID 130792743
4-ethyl-3-fluoro-5-iodo-1-benzothiophene
CID 130816872
3-fluoro-6-methoxy-1-benzothiophene-4-thiol
CID 131122789
2-chloro-5-ethoxy-1,3-difluorobenzene
CID 118847384
4-ethoxy-2-iodo-6-(trifluoromethyl)phenol
CID 171002578
3-fluoro-4,6-dimethyl-1-benzothiophene
CID 130956380
2,4-diethoxy-1,3-difluoro-5-iodobenzene
CID 50998226
3-ethoxy-5-iodo-1-benzothiophen-6-ol
CID 130985683
5-chloro-3-ethoxy-6-iodo-1-benzothiophene
CID 130866122

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-3-fluoro-4-iodo-1-benzothiophene?
The IUPAC name of 6-ethoxy-3-fluoro-4-iodo-1-benzothiophene (CID 131123992) is 6-ethoxy-3-fluoro-4-iodo-1-benzothiophene.
What is the SMILES notation for 6-ethoxy-3-fluoro-4-iodo-1-benzothiophene?
The canonical SMILES for 6-ethoxy-3-fluoro-4-iodo-1-benzothiophene is CCOc1cc(I)c2c(F)csc2c1.
What is the InChIKey of 6-ethoxy-3-fluoro-4-iodo-1-benzothiophene?
The InChIKey is DDLDGGMAZVMCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FIOS/c1-2-13-6-3-8(12)10-7(11)5-14-9(10)4-6/h3-5H,2H2,1H3.
What are the key properties of 6-ethoxy-3-fluoro-4-iodo-1-benzothiophene?
6-ethoxy-3-fluoro-4-iodo-1-benzothiophene has a molecular weight of 322.14 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-3-fluoro-4-iodo-1-benzothiophene is sourced from PubChem (CID 131123992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).