2-amino-1-(5-bromo-6-fluoro-1-benzofuran-2-yl)ethanol

C10H9BrFNO2 — CID 83904131

IUPAC2-amino-1-(5-bromo-6-fluoro-1-benzofuran-2-yl)ethanol
SMILESNCC(O)c1cc2cc(Br)c(F)cc2o1
InChIInChI=1S/C10H9BrFNO2/c11-6-1-5-2-10(8(14)4-13)15-9(5)3-7(6)12/h1-3,8,14H,4,13H2
InChIKeyDGXRDUMFOAUZCV-UHFFFAOYSA-N
MW274.09 g/mol
LogP2.33
Rot. Bonds2

About 2-amino-1-(5-bromo-6-fluoro-1-benzofuran-2-yl)ethanol

2-amino-1-(5-bromo-6-fluoro-1-benzofuran-2-yl)ethanol (PubChem CID 83904131) has the molecular formula C10H9BrFNO2 and a molecular weight of 274.09 g/mol. Its IUPAC name is 2-amino-1-(5-bromo-6-fluoro-1-benzofuran-2-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(5-bromo-6-fluoro-1-benzofuran-2-yl)ethanol
PubChem CID83904131
Molecular FormulaC10H9BrFNO2
Molecular Weight274.09 g/mol
Exact Mass272.98
IUPAC Name2-amino-1-(5-bromo-6-fluoro-1-benzofuran-2-yl)ethanol
SMILESNCC(O)c1cc2cc(Br)c(F)cc2o1
InChIInChI=1S/C10H9BrFNO2/c11-6-1-5-2-10(8(14)4-13)15-9(5)3-7(6)12/h1-3,8,14H,4,13H2
InChIKeyDGXRDUMFOAUZCV-UHFFFAOYSA-N
XLogP2.33
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.09
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-bromo-6-fluoro-1-benzofuran-2-yl)ethanol?
The IUPAC name of 2-amino-1-(5-bromo-6-fluoro-1-benzofuran-2-yl)ethanol (CID 83904131) is 2-amino-1-(5-bromo-6-fluoro-1-benzofuran-2-yl)ethanol.
What is the SMILES notation for 2-amino-1-(5-bromo-6-fluoro-1-benzofuran-2-yl)ethanol?
The canonical SMILES for 2-amino-1-(5-bromo-6-fluoro-1-benzofuran-2-yl)ethanol is NCC(O)c1cc2cc(Br)c(F)cc2o1.
What is the InChIKey of 2-amino-1-(5-bromo-6-fluoro-1-benzofuran-2-yl)ethanol?
The InChIKey is DGXRDUMFOAUZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFNO2/c11-6-1-5-2-10(8(14)4-13)15-9(5)3-7(6)12/h1-3,8,14H,4,13H2.
What are the key properties of 2-amino-1-(5-bromo-6-fluoro-1-benzofuran-2-yl)ethanol?
2-amino-1-(5-bromo-6-fluoro-1-benzofuran-2-yl)ethanol has a molecular weight of 274.09 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-bromo-6-fluoro-1-benzofuran-2-yl)ethanol is sourced from PubChem (CID 83904131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).