1-(3-bromofuran-2-yl)-2-(2,4-difluorophenyl)ethanone

C12H7BrF2O2 — CID 64561569

IUPAC1-(3-bromofuran-2-yl)-2-(2,4-difluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1F)c1occc1Br
InChIInChI=1S/C12H7BrF2O2/c13-9-3-4-17-12(9)11(16)5-7-1-2-8(14)6-10(7)15/h1-4,6H,5H2
InChIKeyJMEKTLHVDKDNGY-UHFFFAOYSA-N
MW301.09 g/mol
LogP3.75
Rot. Bonds3

About 1-(3-bromofuran-2-yl)-2-(2,4-difluorophenyl)ethanone

1-(3-bromofuran-2-yl)-2-(2,4-difluorophenyl)ethanone (PubChem CID 64561569) has the molecular formula C12H7BrF2O2 and a molecular weight of 301.09 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-2-(2,4-difluorophenyl)ethanone.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-2-(2,4-difluorophenyl)ethanone
PubChem CID64561569
Molecular FormulaC12H7BrF2O2
Molecular Weight301.09 g/mol
Exact Mass299.96
IUPAC Name1-(3-bromofuran-2-yl)-2-(2,4-difluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1F)c1occc1Br
InChIInChI=1S/C12H7BrF2O2/c13-9-3-4-17-12(9)11(16)5-7-1-2-8(14)6-10(7)15/h1-4,6H,5H2
InChIKeyJMEKTLHVDKDNGY-UHFFFAOYSA-N
XLogP3.75
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.09
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromofuran-2-yl)-2-(3-fluorophenyl)ethanone
CID 63941843
1-(2-bromo-6-fluorophenyl)-2-(2,4-difluorophenyl)ethanone
CID 114559875
1-(4,5-dibromothiophen-2-yl)-2-(2,4-difluorophenyl)ethanone
CID 80532645
1-(3-bromofuran-2-yl)-2-(3,5-dimethylphenyl)ethanone
CID 63943212
1-(3-bromofuran-2-yl)-2-(4-bromothiophen-2-yl)ethanone
CID 164655288
2-(5-fluoro-2-methylphenyl)-1-(3-methylfuran-2-yl)ethanone
CID 105373368
1-(2-bromo-3,4-difluorophenyl)-2-(2,4-difluorophenyl)ethanone
CID 107538119
1-(3-amino-5-bromophenyl)-2-(2,4-difluorophenyl)ethanone
CID 116597198
1-(3-bromofuran-2-yl)-2-(4-tert-butyl-2,6-dimethylphenyl)ethanone
CID 63943797
1-(3-bromofuran-2-yl)butan-1-one
CID 63941447
2-(4-bromo-2-fluorophenyl)-1-(furan-2-yl)ethanone
CID 62716973
N-(4-bromo-2,5-difluorophenyl)-2-(2,4-difluorophenyl)acetamide
CID 103842501

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-2-(2,4-difluorophenyl)ethanone?
The IUPAC name of 1-(3-bromofuran-2-yl)-2-(2,4-difluorophenyl)ethanone (CID 64561569) is 1-(3-bromofuran-2-yl)-2-(2,4-difluorophenyl)ethanone.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-2-(2,4-difluorophenyl)ethanone?
The canonical SMILES for 1-(3-bromofuran-2-yl)-2-(2,4-difluorophenyl)ethanone is O=C(Cc1ccc(F)cc1F)c1occc1Br.
What is the InChIKey of 1-(3-bromofuran-2-yl)-2-(2,4-difluorophenyl)ethanone?
The InChIKey is JMEKTLHVDKDNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrF2O2/c13-9-3-4-17-12(9)11(16)5-7-1-2-8(14)6-10(7)15/h1-4,6H,5H2.
What are the key properties of 1-(3-bromofuran-2-yl)-2-(2,4-difluorophenyl)ethanone?
1-(3-bromofuran-2-yl)-2-(2,4-difluorophenyl)ethanone has a molecular weight of 301.09 g/mol, XLogP of 3.75, 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-(2,4-difluorophenyl)ethanone is sourced from PubChem (CID 64561569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).