1-(2-bromo-6-fluorophenyl)-2-(furan-3-yl)ethanone

C12H8BrFO2 — CID 114885384

IUPAC1-(2-bromo-6-fluorophenyl)-2-(furan-3-yl)ethanone
SMILESO=C(Cc1ccoc1)c1c(F)cccc1Br
InChIInChI=1S/C12H8BrFO2/c13-9-2-1-3-10(14)12(9)11(15)6-8-4-5-16-7-8/h1-5,7H,6H2
InChIKeyQCTNRITYQJKEPS-UHFFFAOYSA-N
MW283.10 g/mol
LogP3.61
Rot. Bonds3

About 1-(2-bromo-6-fluorophenyl)-2-(furan-3-yl)ethanone

1-(2-bromo-6-fluorophenyl)-2-(furan-3-yl)ethanone (PubChem CID 114885384) has the molecular formula C12H8BrFO2 and a molecular weight of 283.10 g/mol. Its IUPAC name is 1-(2-bromo-6-fluorophenyl)-2-(furan-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-bromo-6-fluorophenyl)-2-(furan-3-yl)ethanone
PubChem CID114885384
Molecular FormulaC12H8BrFO2
Molecular Weight283.10 g/mol
Exact Mass281.97
IUPAC Name1-(2-bromo-6-fluorophenyl)-2-(furan-3-yl)ethanone
SMILESO=C(Cc1ccoc1)c1c(F)cccc1Br
InChIInChI=1S/C12H8BrFO2/c13-9-2-1-3-10(14)12(9)11(15)6-8-4-5-16-7-8/h1-5,7H,6H2
InChIKeyQCTNRITYQJKEPS-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-(2-bromo-6-fluorophenyl)-2-(furan-3-yl)ethanone?
The IUPAC name of 1-(2-bromo-6-fluorophenyl)-2-(furan-3-yl)ethanone (CID 114885384) is 1-(2-bromo-6-fluorophenyl)-2-(furan-3-yl)ethanone.
What is the SMILES notation for 1-(2-bromo-6-fluorophenyl)-2-(furan-3-yl)ethanone?
The canonical SMILES for 1-(2-bromo-6-fluorophenyl)-2-(furan-3-yl)ethanone is O=C(Cc1ccoc1)c1c(F)cccc1Br.
What is the InChIKey of 1-(2-bromo-6-fluorophenyl)-2-(furan-3-yl)ethanone?
The InChIKey is QCTNRITYQJKEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrFO2/c13-9-2-1-3-10(14)12(9)11(15)6-8-4-5-16-7-8/h1-5,7H,6H2.
What are the key properties of 1-(2-bromo-6-fluorophenyl)-2-(furan-3-yl)ethanone?
1-(2-bromo-6-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-(2-bromo-6-fluorophenyl)-2-(furan-3-yl)ethanone is sourced from PubChem (CID 114885384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).