1-(5-bromofuran-2-yl)propan-1-one

C7H7BrO2 — CID 14547080

IUPAC1-(5-bromofuran-2-yl)propan-1-one
SMILESCCC(=O)c1ccc(Br)o1
InChIInChI=1S/C7H7BrO2/c1-2-5(9)6-3-4-7(8)10-6/h3-4H,2H2,1H3
InChIKeyAWQUSPJKVGZXJL-UHFFFAOYSA-N
MW203.03 g/mol
LogP2.63
Rot. Bonds2

About 1-(5-bromofuran-2-yl)propan-1-one

1-(5-bromofuran-2-yl)propan-1-one (PubChem CID 14547080) has the molecular formula C7H7BrO2 and a molecular weight of 203.03 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)propan-1-one
PubChem CID14547080
Molecular FormulaC7H7BrO2
Molecular Weight203.03 g/mol
Exact Mass201.96
IUPAC Name1-(5-bromofuran-2-yl)propan-1-one
SMILESCCC(=O)c1ccc(Br)o1
InChIInChI=1S/C7H7BrO2/c1-2-5(9)6-3-4-7(8)10-6/h3-4H,2H2,1H3
InChIKeyAWQUSPJKVGZXJL-UHFFFAOYSA-N
XLogP2.63
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.03
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)propan-1-one?
The IUPAC name of 1-(5-bromofuran-2-yl)propan-1-one (CID 14547080) is 1-(5-bromofuran-2-yl)propan-1-one.
What is the SMILES notation for 1-(5-bromofuran-2-yl)propan-1-one?
The canonical SMILES for 1-(5-bromofuran-2-yl)propan-1-one is CCC(=O)c1ccc(Br)o1.
What is the InChIKey of 1-(5-bromofuran-2-yl)propan-1-one?
The InChIKey is AWQUSPJKVGZXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrO2/c1-2-5(9)6-3-4-7(8)10-6/h3-4H,2H2,1H3.
What are the key properties of 1-(5-bromofuran-2-yl)propan-1-one?
1-(5-bromofuran-2-yl)propan-1-one has a molecular weight of 203.03 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-2-yl)propan-1-one is sourced from PubChem (CID 14547080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).