1-[1-(5-bromofuran-2-yl)cyclohexyl]ethanone

C12H15BrO2 — CID 83693966

IUPAC1-[1-(5-bromofuran-2-yl)cyclohexyl]ethanone
SMILESCC(=O)C1(c2ccc(Br)o2)CCCCC1
InChIInChI=1S/C12H15BrO2/c1-9(14)12(7-3-2-4-8-12)10-5-6-11(13)15-10/h5-6H,2-4,7-8H2,1H3
InChIKeyUYVHKOYIVZTDBZ-UHFFFAOYSA-N
MW271.15 g/mol
LogP3.83
Rot. Bonds2

About 1-[1-(5-bromofuran-2-yl)cyclohexyl]ethanone

1-[1-(5-bromofuran-2-yl)cyclohexyl]ethanone (PubChem CID 83693966) has the molecular formula C12H15BrO2 and a molecular weight of 271.15 g/mol. Its IUPAC name is 1-[1-(5-bromofuran-2-yl)cyclohexyl]ethanone.

Molecular Properties

Compound Name1-[1-(5-bromofuran-2-yl)cyclohexyl]ethanone
PubChem CID83693966
Molecular FormulaC12H15BrO2
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name1-[1-(5-bromofuran-2-yl)cyclohexyl]ethanone
SMILESCC(=O)C1(c2ccc(Br)o2)CCCCC1
InChIInChI=1S/C12H15BrO2/c1-9(14)12(7-3-2-4-8-12)10-5-6-11(13)15-10/h5-6H,2-4,7-8H2,1H3
InChIKeyUYVHKOYIVZTDBZ-UHFFFAOYSA-N
XLogP3.83
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-bromofuran-2-yl)cyclohexyl]ethanone?
The IUPAC name of 1-[1-(5-bromofuran-2-yl)cyclohexyl]ethanone (CID 83693966) is 1-[1-(5-bromofuran-2-yl)cyclohexyl]ethanone.
What is the SMILES notation for 1-[1-(5-bromofuran-2-yl)cyclohexyl]ethanone?
The canonical SMILES for 1-[1-(5-bromofuran-2-yl)cyclohexyl]ethanone is CC(=O)C1(c2ccc(Br)o2)CCCCC1.
What is the InChIKey of 1-[1-(5-bromofuran-2-yl)cyclohexyl]ethanone?
The InChIKey is UYVHKOYIVZTDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO2/c1-9(14)12(7-3-2-4-8-12)10-5-6-11(13)15-10/h5-6H,2-4,7-8H2,1H3.
What are the key properties of 1-[1-(5-bromofuran-2-yl)cyclohexyl]ethanone?
1-[1-(5-bromofuran-2-yl)cyclohexyl]ethanone has a molecular weight of 271.15 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-bromofuran-2-yl)cyclohexyl]ethanone is sourced from PubChem (CID 83693966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).