1-(5-bromofuran-2-yl)ethyl acetate

C8H9BrO3 — CID 174586454

IUPAC1-(5-bromofuran-2-yl)ethyl acetate
SMILESCC(=O)OC(C)c1ccc(Br)o1
InChIInChI=1S/C8H9BrO3/c1-5(11-6(2)10)7-3-4-8(9)12-7/h3-5H,1-2H3
InChIKeyWAZQYHHINXLIPH-UHFFFAOYSA-N
MW233.06 g/mol
LogP2.67
Rot. Bonds2

About 1-(5-bromofuran-2-yl)ethyl acetate

1-(5-bromofuran-2-yl)ethyl acetate (PubChem CID 174586454) has the molecular formula C8H9BrO3 and a molecular weight of 233.06 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)ethyl acetate.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)ethyl acetate
PubChem CID174586454
Molecular FormulaC8H9BrO3
Molecular Weight233.06 g/mol
Exact Mass231.97
IUPAC Name1-(5-bromofuran-2-yl)ethyl acetate
SMILESCC(=O)OC(C)c1ccc(Br)o1
InChIInChI=1S/C8H9BrO3/c1-5(11-6(2)10)7-3-4-8(9)12-7/h3-5H,1-2H3
InChIKeyWAZQYHHINXLIPH-UHFFFAOYSA-N
XLogP2.67
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.06
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)ethyl acetate?
The IUPAC name of 1-(5-bromofuran-2-yl)ethyl acetate (CID 174586454) is 1-(5-bromofuran-2-yl)ethyl acetate.
What is the SMILES notation for 1-(5-bromofuran-2-yl)ethyl acetate?
The canonical SMILES for 1-(5-bromofuran-2-yl)ethyl acetate is CC(=O)OC(C)c1ccc(Br)o1.
What is the InChIKey of 1-(5-bromofuran-2-yl)ethyl acetate?
The InChIKey is WAZQYHHINXLIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrO3/c1-5(11-6(2)10)7-3-4-8(9)12-7/h3-5H,1-2H3.
What are the key properties of 1-(5-bromofuran-2-yl)ethyl acetate?
1-(5-bromofuran-2-yl)ethyl acetate has a molecular weight of 233.06 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-2-yl)ethyl acetate is sourced from PubChem (CID 174586454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).