1-(4-bromofuran-2-yl)-2-methylpropan-1-one

C8H9BrO2 — CID 83887386

IUPAC1-(4-bromofuran-2-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)c1cc(Br)co1
InChIInChI=1S/C8H9BrO2/c1-5(2)8(10)7-3-6(9)4-11-7/h3-5H,1-2H3
InChIKeyMTRFBOCIUDLLAS-UHFFFAOYSA-N
MW217.06 g/mol
LogP2.88
Rot. Bonds2

About 1-(4-bromofuran-2-yl)-2-methylpropan-1-one

1-(4-bromofuran-2-yl)-2-methylpropan-1-one (PubChem CID 83887386) has the molecular formula C8H9BrO2 and a molecular weight of 217.06 g/mol. Its IUPAC name is 1-(4-bromofuran-2-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(4-bromofuran-2-yl)-2-methylpropan-1-one
PubChem CID83887386
Molecular FormulaC8H9BrO2
Molecular Weight217.06 g/mol
Exact Mass215.98
IUPAC Name1-(4-bromofuran-2-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)c1cc(Br)co1
InChIInChI=1S/C8H9BrO2/c1-5(2)8(10)7-3-6(9)4-11-7/h3-5H,1-2H3
InChIKeyMTRFBOCIUDLLAS-UHFFFAOYSA-N
XLogP2.88
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.06
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromofuran-2-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(4-bromofuran-2-yl)-2-methylpropan-1-one (CID 83887386) is 1-(4-bromofuran-2-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(4-bromofuran-2-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(4-bromofuran-2-yl)-2-methylpropan-1-one is CC(C)C(=O)c1cc(Br)co1.
What is the InChIKey of 1-(4-bromofuran-2-yl)-2-methylpropan-1-one?
The InChIKey is MTRFBOCIUDLLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrO2/c1-5(2)8(10)7-3-6(9)4-11-7/h3-5H,1-2H3.
What are the key properties of 1-(4-bromofuran-2-yl)-2-methylpropan-1-one?
1-(4-bromofuran-2-yl)-2-methylpropan-1-one has a molecular weight of 217.06 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromofuran-2-yl)-2-methylpropan-1-one is sourced from PubChem (CID 83887386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).