1-[5-(4-bromo-3-fluorophenyl)furan-2-yl]ethanone

C12H8BrFO2 — CID 65437595

IUPAC1-[5-(4-bromo-3-fluorophenyl)furan-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(Br)c(F)c2)o1
InChIInChI=1S/C12H8BrFO2/c1-7(15)11-4-5-12(16-11)8-2-3-9(13)10(14)6-8/h2-6H,1H3
InChIKeyWKZOZIDXBFTYDF-UHFFFAOYSA-N
MW283.10 g/mol
LogP4.05
Rot. Bonds2

About 1-[5-(4-bromo-3-fluorophenyl)furan-2-yl]ethanone

1-[5-(4-bromo-3-fluorophenyl)furan-2-yl]ethanone (PubChem CID 65437595) has the molecular formula C12H8BrFO2 and a molecular weight of 283.10 g/mol. Its IUPAC name is 1-[5-(4-bromo-3-fluorophenyl)furan-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(4-bromo-3-fluorophenyl)furan-2-yl]ethanone
PubChem CID65437595
Molecular FormulaC12H8BrFO2
Molecular Weight283.10 g/mol
Exact Mass281.97
IUPAC Name1-[5-(4-bromo-3-fluorophenyl)furan-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(Br)c(F)c2)o1
InChIInChI=1S/C12H8BrFO2/c1-7(15)11-4-5-12(16-11)8-2-3-9(13)10(14)6-8/h2-6H,1H3
InChIKeyWKZOZIDXBFTYDF-UHFFFAOYSA-N
XLogP4.05
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.10
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(3-fluoro-4-methylphenyl)furan-2-yl]ethanone
CID 62500345
1-[5-(4-chloro-3-fluorophenyl)furan-2-yl]ethanone
CID 62500513
1-[5-(3,5-dichlorophenyl)furan-2-yl]ethanone
CID 2805836
N-[(2-bromo-4,6-difluorophenyl)carbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 5039056
1-[5-(3-aminophenyl)furan-2-yl]ethanone
CID 165461195
1-[5-(4-bromo-3-methylphenyl)furan-2-yl]propan-1-one
CID 62632741
1-[5-(4-chloro-3-methoxyphenyl)furan-2-yl]ethanone
CID 107622692
1-[5-[4-(dimethylamino)phenyl]furan-2-yl]ethanone
CID 82541119
N-[[5-(4-bromo-3-fluorophenyl)furan-2-yl]methyl]propan-2-amine
CID 65435627
dimethyl 5-(5-acetylfuran-2-yl)benzene-1,3-dicarboxylate
CID 960529
1-[5-(3-fluoro-2-methylphenyl)furan-2-yl]ethanone
CID 62498241
(E)-3-[5-(3-chloro-4-fluorophenyl)furan-2-yl]but-2-enoic acid
CID 82543829

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-bromo-3-fluorophenyl)furan-2-yl]ethanone?
The IUPAC name of 1-[5-(4-bromo-3-fluorophenyl)furan-2-yl]ethanone (CID 65437595) is 1-[5-(4-bromo-3-fluorophenyl)furan-2-yl]ethanone.
What is the SMILES notation for 1-[5-(4-bromo-3-fluorophenyl)furan-2-yl]ethanone?
The canonical SMILES for 1-[5-(4-bromo-3-fluorophenyl)furan-2-yl]ethanone is CC(=O)c1ccc(-c2ccc(Br)c(F)c2)o1.
What is the InChIKey of 1-[5-(4-bromo-3-fluorophenyl)furan-2-yl]ethanone?
The InChIKey is WKZOZIDXBFTYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrFO2/c1-7(15)11-4-5-12(16-11)8-2-3-9(13)10(14)6-8/h2-6H,1H3.
What are the key properties of 1-[5-(4-bromo-3-fluorophenyl)furan-2-yl]ethanone?
1-[5-(4-bromo-3-fluorophenyl)furan-2-yl]ethanone has a molecular weight of 283.10 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-bromo-3-fluorophenyl)furan-2-yl]ethanone is sourced from PubChem (CID 65437595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).