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

C10H8BrFOS — CID 130855106

IUPAC6-bromo-2-ethoxy-3-fluoro-1-benzothiophene
SMILESCCOc1sc2cc(Br)ccc2c1F
InChIInChI=1S/C10H8BrFOS/c1-2-13-10-9(12)7-4-3-6(11)5-8(7)14-10/h3-5H,2H2,1H3
InChIKeyNWCHCGUPLVJVPX-UHFFFAOYSA-N
MW275.14 g/mol
LogP4.20
Rot. Bonds2

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

6-bromo-2-ethoxy-3-fluoro-1-benzothiophene (PubChem CID 130855106) has the molecular formula C10H8BrFOS and a molecular weight of 275.14 g/mol. Its IUPAC name is 6-bromo-2-ethoxy-3-fluoro-1-benzothiophene.

Molecular Properties

Compound Name6-bromo-2-ethoxy-3-fluoro-1-benzothiophene
PubChem CID130855106
Molecular FormulaC10H8BrFOS
Molecular Weight275.14 g/mol
Exact Mass273.95
IUPAC Name6-bromo-2-ethoxy-3-fluoro-1-benzothiophene
SMILESCCOc1sc2cc(Br)ccc2c1F
InChIInChI=1S/C10H8BrFOS/c1-2-13-10-9(12)7-4-3-6(11)5-8(7)14-10/h3-5H,2H2,1H3
InChIKeyNWCHCGUPLVJVPX-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 6-bromo-2-ethoxy-3-fluoro-1-benzothiophene?
The IUPAC name of 6-bromo-2-ethoxy-3-fluoro-1-benzothiophene (CID 130855106) is 6-bromo-2-ethoxy-3-fluoro-1-benzothiophene.
What is the SMILES notation for 6-bromo-2-ethoxy-3-fluoro-1-benzothiophene?
The canonical SMILES for 6-bromo-2-ethoxy-3-fluoro-1-benzothiophene is CCOc1sc2cc(Br)ccc2c1F.
What is the InChIKey of 6-bromo-2-ethoxy-3-fluoro-1-benzothiophene?
The InChIKey is NWCHCGUPLVJVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFOS/c1-2-13-10-9(12)7-4-3-6(11)5-8(7)14-10/h3-5H,2H2,1H3.
What are the key properties of 6-bromo-2-ethoxy-3-fluoro-1-benzothiophene?
6-bromo-2-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 6-bromo-2-ethoxy-3-fluoro-1-benzothiophene is sourced from PubChem (CID 130855106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).