1-(3-bromofuran-2-yl)-2-(3-fluorophenyl)ethanone

C12H8BrFO2 — CID 63941843

IUPAC1-(3-bromofuran-2-yl)-2-(3-fluorophenyl)ethanone
SMILESO=C(Cc1cccc(F)c1)c1occc1Br
InChIInChI=1S/C12H8BrFO2/c13-10-4-5-16-12(10)11(15)7-8-2-1-3-9(14)6-8/h1-6H,7H2
InChIKeyUGTKREKQYZLBRO-UHFFFAOYSA-N
MW283.10 g/mol
LogP3.61
Rot. Bonds3

About 1-(3-bromofuran-2-yl)-2-(3-fluorophenyl)ethanone

1-(3-bromofuran-2-yl)-2-(3-fluorophenyl)ethanone (PubChem CID 63941843) has the molecular formula C12H8BrFO2 and a molecular weight of 283.10 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-2-(3-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-2-(3-fluorophenyl)ethanone
PubChem CID63941843
Molecular FormulaC12H8BrFO2
Molecular Weight283.10 g/mol
Exact Mass281.97
IUPAC Name1-(3-bromofuran-2-yl)-2-(3-fluorophenyl)ethanone
SMILESO=C(Cc1cccc(F)c1)c1occc1Br
InChIInChI=1S/C12H8BrFO2/c13-10-4-5-16-12(10)11(15)7-8-2-1-3-9(14)6-8/h1-6H,7H2
InChIKeyUGTKREKQYZLBRO-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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Related Compounds

1-(3-bromofuran-2-yl)-2-(3-bromophenyl)ethanone
CID 63941449
1-(3-bromofuran-2-yl)-2-(2,4-difluorophenyl)ethanone
CID 64561569
1-(3-bromofuran-2-yl)-2-(3,4-dimethylphenyl)ethanone
CID 63943802
1-(3-bromofuran-2-yl)-2-(3,5-dimethylphenyl)ethanone
CID 63943212
1-(3-bromophenyl)-2-(3-fluorophenyl)ethanone
CID 24723944
1-(3-bromo-2-chlorophenyl)-2-(3-fluorophenyl)ethanone
CID 113403008
1-(5-bromothiophen-2-yl)-2-(3-fluorophenyl)ethanone
CID 61078975
1-(4-bromo-5-chloro-2-fluorophenyl)-2-(3-fluorophenyl)ethanone
CID 105398326
1-(2-bromo-5-fluorophenyl)-3-(3-fluorophenyl)propan-2-one
CID 62621730
1-(3-bromofuran-2-yl)-2-(4-bromothiophen-2-yl)ethanone
CID 164655288
1-(2-amino-5-fluorophenyl)-2-(3-fluorophenyl)ethanone
CID 82685528
N-[3-[[2-(3-fluorophenyl)acetyl]amino]propyl]-3-methylfuran-2-carboxamide
CID 56793899

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-2-(3-fluorophenyl)ethanone?
The IUPAC name of 1-(3-bromofuran-2-yl)-2-(3-fluorophenyl)ethanone (CID 63941843) is 1-(3-bromofuran-2-yl)-2-(3-fluorophenyl)ethanone.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-2-(3-fluorophenyl)ethanone?
The canonical SMILES for 1-(3-bromofuran-2-yl)-2-(3-fluorophenyl)ethanone is O=C(Cc1cccc(F)c1)c1occc1Br.
What is the InChIKey of 1-(3-bromofuran-2-yl)-2-(3-fluorophenyl)ethanone?
The InChIKey is UGTKREKQYZLBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrFO2/c13-10-4-5-16-12(10)11(15)7-8-2-1-3-9(14)6-8/h1-6H,7H2.
What are the key properties of 1-(3-bromofuran-2-yl)-2-(3-fluorophenyl)ethanone?
1-(3-bromofuran-2-yl)-2-(3-fluorophenyl)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-(3-bromofuran-2-yl)-2-(3-fluorophenyl)ethanone is sourced from PubChem (CID 63941843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).