1-(4-bromo-2-fluorophenyl)-2-(furan-3-yl)ethanone

C12H8BrFO2 — CID 114905849

IUPAC1-(4-bromo-2-fluorophenyl)-2-(furan-3-yl)ethanone
SMILESO=C(Cc1ccoc1)c1ccc(Br)cc1F
InChIInChI=1S/C12H8BrFO2/c13-9-1-2-10(11(14)6-9)12(15)5-8-3-4-16-7-8/h1-4,6-7H,5H2
InChIKeyMITVVYHKEZESHH-UHFFFAOYSA-N
MW283.10 g/mol
LogP3.61
Rot. Bonds3

About 1-(4-bromo-2-fluorophenyl)-2-(furan-3-yl)ethanone

1-(4-bromo-2-fluorophenyl)-2-(furan-3-yl)ethanone (PubChem CID 114905849) has the molecular formula C12H8BrFO2 and a molecular weight of 283.10 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-2-(furan-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-2-(furan-3-yl)ethanone
PubChem CID114905849
Molecular FormulaC12H8BrFO2
Molecular Weight283.10 g/mol
Exact Mass281.97
IUPAC Name1-(4-bromo-2-fluorophenyl)-2-(furan-3-yl)ethanone
SMILESO=C(Cc1ccoc1)c1ccc(Br)cc1F
InChIInChI=1S/C12H8BrFO2/c13-9-1-2-10(11(14)6-9)12(15)5-8-3-4-16-7-8/h1-4,6-7H,5H2
InChIKeyMITVVYHKEZESHH-UHFFFAOYSA-N
XLogP3.61
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.10
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-2-(furan-3-yl)ethanone?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-2-(furan-3-yl)ethanone (CID 114905849) is 1-(4-bromo-2-fluorophenyl)-2-(furan-3-yl)ethanone.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-2-(furan-3-yl)ethanone?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-2-(furan-3-yl)ethanone is O=C(Cc1ccoc1)c1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-2-(furan-3-yl)ethanone?
The InChIKey is MITVVYHKEZESHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrFO2/c13-9-1-2-10(11(14)6-9)12(15)5-8-3-4-16-7-8/h1-4,6-7H,5H2.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-2-(furan-3-yl)ethanone?
1-(4-bromo-2-fluorophenyl)-2-(furan-3-yl)ethanone has a molecular weight of 283.10 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-2-(furan-3-yl)ethanone is sourced from PubChem (CID 114905849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).