1-(7-bromo-5-fluoro-1-benzofuran-2-yl)ethanamine

C10H9BrFNO — CID 65440930

IUPAC1-(7-bromo-5-fluoro-1-benzofuran-2-yl)ethanamine
SMILESCC(N)c1cc2cc(F)cc(Br)c2o1
InChIInChI=1S/C10H9BrFNO/c1-5(13)9-3-6-2-7(12)4-8(11)10(6)14-9/h2-5H,13H2,1H3
InChIKeyFWEIVYPATRWAPZ-UHFFFAOYSA-N
MW258.09 g/mol
LogP3.35
Rot. Bonds1

About 1-(7-bromo-5-fluoro-1-benzofuran-2-yl)ethanamine

1-(7-bromo-5-fluoro-1-benzofuran-2-yl)ethanamine (PubChem CID 65440930) has the molecular formula C10H9BrFNO and a molecular weight of 258.09 g/mol. Its IUPAC name is 1-(7-bromo-5-fluoro-1-benzofuran-2-yl)ethanamine.

Molecular Properties

Compound Name1-(7-bromo-5-fluoro-1-benzofuran-2-yl)ethanamine
PubChem CID65440930
Molecular FormulaC10H9BrFNO
Molecular Weight258.09 g/mol
Exact Mass256.99
IUPAC Name1-(7-bromo-5-fluoro-1-benzofuran-2-yl)ethanamine
SMILESCC(N)c1cc2cc(F)cc(Br)c2o1
InChIInChI=1S/C10H9BrFNO/c1-5(13)9-3-6-2-7(12)4-8(11)10(6)14-9/h2-5H,13H2,1H3
InChIKeyFWEIVYPATRWAPZ-UHFFFAOYSA-N
XLogP3.35
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.09
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-5-fluoro-1-benzofuran-2-yl)ethanamine?
The IUPAC name of 1-(7-bromo-5-fluoro-1-benzofuran-2-yl)ethanamine (CID 65440930) is 1-(7-bromo-5-fluoro-1-benzofuran-2-yl)ethanamine.
What is the SMILES notation for 1-(7-bromo-5-fluoro-1-benzofuran-2-yl)ethanamine?
The canonical SMILES for 1-(7-bromo-5-fluoro-1-benzofuran-2-yl)ethanamine is CC(N)c1cc2cc(F)cc(Br)c2o1.
What is the InChIKey of 1-(7-bromo-5-fluoro-1-benzofuran-2-yl)ethanamine?
The InChIKey is FWEIVYPATRWAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFNO/c1-5(13)9-3-6-2-7(12)4-8(11)10(6)14-9/h2-5H,13H2,1H3.
What are the key properties of 1-(7-bromo-5-fluoro-1-benzofuran-2-yl)ethanamine?
1-(7-bromo-5-fluoro-1-benzofuran-2-yl)ethanamine has a molecular weight of 258.09 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-5-fluoro-1-benzofuran-2-yl)ethanamine is sourced from PubChem (CID 65440930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).