2-bromo-3-ethoxy-6-fluoro-1-benzothiophene

C10H8BrFOS — CID 130884261

IUPAC2-bromo-3-ethoxy-6-fluoro-1-benzothiophene
SMILESCCOc1c(Br)sc2cc(F)ccc12
InChIInChI=1S/C10H8BrFOS/c1-2-13-9-7-4-3-6(12)5-8(7)14-10(9)11/h3-5H,2H2,1H3
InChIKeyMEPFBWSOYPKOSB-UHFFFAOYSA-N
MW275.14 g/mol
LogP4.20
Rot. Bonds2

About 2-bromo-3-ethoxy-6-fluoro-1-benzothiophene

2-bromo-3-ethoxy-6-fluoro-1-benzothiophene (PubChem CID 130884261) has the molecular formula C10H8BrFOS and a molecular weight of 275.14 g/mol. Its IUPAC name is 2-bromo-3-ethoxy-6-fluoro-1-benzothiophene.

Molecular Properties

Compound Name2-bromo-3-ethoxy-6-fluoro-1-benzothiophene
PubChem CID130884261
Molecular FormulaC10H8BrFOS
Molecular Weight275.14 g/mol
Exact Mass273.95
IUPAC Name2-bromo-3-ethoxy-6-fluoro-1-benzothiophene
SMILESCCOc1c(Br)sc2cc(F)ccc12
InChIInChI=1S/C10H8BrFOS/c1-2-13-9-7-4-3-6(12)5-8(7)14-10(9)11/h3-5H,2H2,1H3
InChIKeyMEPFBWSOYPKOSB-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

Analyze 2-bromo-3-ethoxy-6-fluoro-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

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-ethoxy-6-fluoro-1-benzothiophene?
The IUPAC name of 2-bromo-3-ethoxy-6-fluoro-1-benzothiophene (CID 130884261) is 2-bromo-3-ethoxy-6-fluoro-1-benzothiophene.
What is the SMILES notation for 2-bromo-3-ethoxy-6-fluoro-1-benzothiophene?
The canonical SMILES for 2-bromo-3-ethoxy-6-fluoro-1-benzothiophene is CCOc1c(Br)sc2cc(F)ccc12.
What is the InChIKey of 2-bromo-3-ethoxy-6-fluoro-1-benzothiophene?
The InChIKey is MEPFBWSOYPKOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFOS/c1-2-13-9-7-4-3-6(12)5-8(7)14-10(9)11/h3-5H,2H2,1H3.
What are the key properties of 2-bromo-3-ethoxy-6-fluoro-1-benzothiophene?
2-bromo-3-ethoxy-6-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 2-bromo-3-ethoxy-6-fluoro-1-benzothiophene is sourced from PubChem (CID 130884261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).