5-bromo-4-ethoxy-3-fluoro-1-benzothiophene

C10H8BrFOS — CID 130901144

IUPAC5-bromo-4-ethoxy-3-fluoro-1-benzothiophene
SMILESCCOc1c(Br)ccc2scc(F)c12
InChIInChI=1S/C10H8BrFOS/c1-2-13-10-6(11)3-4-8-9(10)7(12)5-14-8/h3-5H,2H2,1H3
InChIKeyVKEMBEGONBVVDB-UHFFFAOYSA-N
MW275.14 g/mol
LogP4.20
Rot. Bonds2

About 5-bromo-4-ethoxy-3-fluoro-1-benzothiophene

5-bromo-4-ethoxy-3-fluoro-1-benzothiophene (PubChem CID 130901144) has the molecular formula C10H8BrFOS and a molecular weight of 275.14 g/mol. Its IUPAC name is 5-bromo-4-ethoxy-3-fluoro-1-benzothiophene.

Molecular Properties

Compound Name5-bromo-4-ethoxy-3-fluoro-1-benzothiophene
PubChem CID130901144
Molecular FormulaC10H8BrFOS
Molecular Weight275.14 g/mol
Exact Mass273.95
IUPAC Name5-bromo-4-ethoxy-3-fluoro-1-benzothiophene
SMILESCCOc1c(Br)ccc2scc(F)c12
InChIInChI=1S/C10H8BrFOS/c1-2-13-10-6(11)3-4-8-9(10)7(12)5-14-8/h3-5H,2H2,1H3
InChIKeyVKEMBEGONBVVDB-UHFFFAOYSA-N
XLogP4.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.14
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-ethoxy-3-fluoro-1-benzothiophene?
The IUPAC name of 5-bromo-4-ethoxy-3-fluoro-1-benzothiophene (CID 130901144) is 5-bromo-4-ethoxy-3-fluoro-1-benzothiophene.
What is the SMILES notation for 5-bromo-4-ethoxy-3-fluoro-1-benzothiophene?
The canonical SMILES for 5-bromo-4-ethoxy-3-fluoro-1-benzothiophene is CCOc1c(Br)ccc2scc(F)c12.
What is the InChIKey of 5-bromo-4-ethoxy-3-fluoro-1-benzothiophene?
The InChIKey is VKEMBEGONBVVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFOS/c1-2-13-10-6(11)3-4-8-9(10)7(12)5-14-8/h3-5H,2H2,1H3.
What are the key properties of 5-bromo-4-ethoxy-3-fluoro-1-benzothiophene?
5-bromo-4-ethoxy-3-fluoro-1-benzothiophene has a molecular weight of 275.14 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-ethoxy-3-fluoro-1-benzothiophene is sourced from PubChem (CID 130901144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).