1-(3-bromofuran-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone

C8H6BrF3O3 — CID 103214118

IUPAC1-(3-bromofuran-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone
SMILESO=C(COCC(F)(F)F)c1occc1Br
InChIInChI=1S/C8H6BrF3O3/c9-5-1-2-15-7(5)6(13)3-14-4-8(10,11)12/h1-2H,3-4H2
InChIKeyWBUBIAAATFGJAB-UHFFFAOYSA-N
MW287.03 g/mol
LogP2.80
Rot. Bonds4

About 1-(3-bromofuran-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone

1-(3-bromofuran-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone (PubChem CID 103214118) has the molecular formula C8H6BrF3O3 and a molecular weight of 287.03 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone
PubChem CID103214118
Molecular FormulaC8H6BrF3O3
Molecular Weight287.03 g/mol
Exact Mass285.95
IUPAC Name1-(3-bromofuran-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone
SMILESO=C(COCC(F)(F)F)c1occc1Br
InChIInChI=1S/C8H6BrF3O3/c9-5-1-2-15-7(5)6(13)3-14-4-8(10,11)12/h1-2H,3-4H2
InChIKeyWBUBIAAATFGJAB-UHFFFAOYSA-N
XLogP2.80
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.03
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-2-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 106645011
1-(3-bromofuran-2-yl)-3-propoxypropan-1-one
CID 105101655
1-(3-bromofuran-2-yl)butan-1-one
CID 63941447
1-(2-bromo-4-ethoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103206758
3-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]furan-2-carboxylic acid
CID 103251695
1-(1-benzofuran-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 43799431
1-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 43799450
1-(3-bromo-2,4-dimethoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103206851
1-(3-bromothiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 103146825
1-(3-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 43799454
1-(3-bromofuran-2-yl)-2-(4-bromothiophen-2-yl)ethanone
CID 164655288
1-(5-fluoro-2-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 43799433

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The IUPAC name of 1-(3-bromofuran-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone (CID 103214118) is 1-(3-bromofuran-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The canonical SMILES for 1-(3-bromofuran-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone is O=C(COCC(F)(F)F)c1occc1Br.
What is the InChIKey of 1-(3-bromofuran-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The InChIKey is WBUBIAAATFGJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF3O3/c9-5-1-2-15-7(5)6(13)3-14-4-8(10,11)12/h1-2H,3-4H2.
What are the key properties of 1-(3-bromofuran-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
1-(3-bromofuran-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone has a molecular weight of 287.03 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromofuran-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone is sourced from PubChem (CID 103214118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).