2-(5-bromofuran-3-yl)-1-(oxan-2-yl)ethanone

C11H13BrO3 — CID 131019765

IUPAC2-(5-bromofuran-3-yl)-1-(oxan-2-yl)ethanone
SMILESO=C(Cc1coc(Br)c1)C1CCCCO1
InChIInChI=1S/C11H13BrO3/c12-11-6-8(7-15-11)5-9(13)10-3-1-2-4-14-10/h6-7,10H,1-5H2
InChIKeyCMAUTRYERCUFGY-UHFFFAOYSA-N
MW273.13 g/mol
LogP2.72
Rot. Bonds3

About 2-(5-bromofuran-3-yl)-1-(oxan-2-yl)ethanone

2-(5-bromofuran-3-yl)-1-(oxan-2-yl)ethanone (PubChem CID 131019765) has the molecular formula C11H13BrO3 and a molecular weight of 273.13 g/mol. Its IUPAC name is 2-(5-bromofuran-3-yl)-1-(oxan-2-yl)ethanone.

Molecular Properties

Compound Name2-(5-bromofuran-3-yl)-1-(oxan-2-yl)ethanone
PubChem CID131019765
Molecular FormulaC11H13BrO3
Molecular Weight273.13 g/mol
Exact Mass272.00
IUPAC Name2-(5-bromofuran-3-yl)-1-(oxan-2-yl)ethanone
SMILESO=C(Cc1coc(Br)c1)C1CCCCO1
InChIInChI=1S/C11H13BrO3/c12-11-6-8(7-15-11)5-9(13)10-3-1-2-4-14-10/h6-7,10H,1-5H2
InChIKeyCMAUTRYERCUFGY-UHFFFAOYSA-N
XLogP2.72
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromofuran-3-yl)-1-(1,4-dioxan-2-yl)ethanone
CID 131107631
2-(furan-3-yl)-1-(oxolan-2-yl)ethanone
CID 83171959
2-(4-chloro-3-fluorophenyl)-1-(oxan-2-yl)ethanone
CID 107890629
2-(4-methylphenyl)-1-(oxolan-2-yl)ethanone
CID 61080286
2-cyclopentyl-1-(oxan-2-yl)ethanone
CID 114969343
2-[(5-bromofuran-3-yl)methyl]cyclopentane-1-carboxylic acid
CID 130877489
2-cyclobutyl-1-(oxan-2-yl)ethanone
CID 114974038
N-[[3-[(oxane-2-carbonylamino)methyl]phenyl]methyl]oxane-2-carboxamide
CID 127697163
1-(oxan-2-yl)pent-4-yn-1-one
CID 86584815
2-(2-chloro-6-fluorophenyl)-1-(oxan-2-yl)ethanone
CID 55047758
2-methoxy-1-(oxan-2-yl)ethanone
CID 115783401
2-(2-fluorophenyl)-1-(oxolan-2-yl)ethanone
CID 61080279

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromofuran-3-yl)-1-(oxan-2-yl)ethanone?
The IUPAC name of 2-(5-bromofuran-3-yl)-1-(oxan-2-yl)ethanone (CID 131019765) is 2-(5-bromofuran-3-yl)-1-(oxan-2-yl)ethanone.
What is the SMILES notation for 2-(5-bromofuran-3-yl)-1-(oxan-2-yl)ethanone?
The canonical SMILES for 2-(5-bromofuran-3-yl)-1-(oxan-2-yl)ethanone is O=C(Cc1coc(Br)c1)C1CCCCO1.
What is the InChIKey of 2-(5-bromofuran-3-yl)-1-(oxan-2-yl)ethanone?
The InChIKey is CMAUTRYERCUFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO3/c12-11-6-8(7-15-11)5-9(13)10-3-1-2-4-14-10/h6-7,10H,1-5H2.
What are the key properties of 2-(5-bromofuran-3-yl)-1-(oxan-2-yl)ethanone?
2-(5-bromofuran-3-yl)-1-(oxan-2-yl)ethanone has a molecular weight of 273.13 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromofuran-3-yl)-1-(oxan-2-yl)ethanone is sourced from PubChem (CID 131019765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).