1-(1-benzofuran-2-yl)-2-(5-bromo-2-fluorophenoxy)ethanone

C16H10BrFO3 — CID 114674144

IUPAC1-(1-benzofuran-2-yl)-2-(5-bromo-2-fluorophenoxy)ethanone
SMILESO=C(COc1cc(Br)ccc1F)c1cc2ccccc2o1
InChIInChI=1S/C16H10BrFO3/c17-11-5-6-12(18)15(8-11)20-9-13(19)16-7-10-3-1-2-4-14(10)21-16/h1-8H,9H2
InChIKeyGEYFSONGJQQNDA-UHFFFAOYSA-N
MW349.16 g/mol
LogP4.60
Rot. Bonds4

About 1-(1-benzofuran-2-yl)-2-(5-bromo-2-fluorophenoxy)ethanone

1-(1-benzofuran-2-yl)-2-(5-bromo-2-fluorophenoxy)ethanone (PubChem CID 114674144) has the molecular formula C16H10BrFO3 and a molecular weight of 349.16 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-(5-bromo-2-fluorophenoxy)ethanone.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-(5-bromo-2-fluorophenoxy)ethanone
PubChem CID114674144
Molecular FormulaC16H10BrFO3
Molecular Weight349.16 g/mol
Exact Mass347.98
IUPAC Name1-(1-benzofuran-2-yl)-2-(5-bromo-2-fluorophenoxy)ethanone
SMILESO=C(COc1cc(Br)ccc1F)c1cc2ccccc2o1
InChIInChI=1S/C16H10BrFO3/c17-11-5-6-12(18)15(8-11)20-9-13(19)16-7-10-3-1-2-4-14(10)21-16/h1-8H,9H2
InChIKeyGEYFSONGJQQNDA-UHFFFAOYSA-N
XLogP4.60
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.16
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzofuran-2-yl)-2-(3-bromo-5-fluorophenoxy)ethanone
CID 81315367
1-(1-benzofuran-2-yl)-2-(4-fluorophenoxy)ethanone
CID 43413232
1-(1-benzofuran-2-yl)-2-(2-chlorophenoxy)ethanone
CID 7816108
[2-(1-benzofuran-2-yl)-2-oxoethyl] 2-(4-bromophenyl)acetate
CID 4239088
1-(1-benzofuran-2-yl)-2-(3,5-dichlorophenoxy)ethanone
CID 60623980
2-(5-bromo-2-fluorophenoxy)-1-(4-chlorophenyl)ethanone
CID 114674085
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7193998
3-amino-1-(1-benzofuran-2-yl)propan-1-one
CID 82275110
1-(1-benzofuran-2-yl)-2-ethoxyethanone
CID 43799572
2-(5-bromo-2-fluorophenoxy)-1-(4-methylphenyl)ethanone
CID 114674097
1-(1-benzofuran-2-yl)-2-(3-methylphenoxy)ethanone
CID 43413131
1-(1-benzofuran-2-yl)-2-(3-ethylphenoxy)ethanone
CID 43411796

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-(5-bromo-2-fluorophenoxy)ethanone?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-(5-bromo-2-fluorophenoxy)ethanone (CID 114674144) is 1-(1-benzofuran-2-yl)-2-(5-bromo-2-fluorophenoxy)ethanone.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-(5-bromo-2-fluorophenoxy)ethanone?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-(5-bromo-2-fluorophenoxy)ethanone is O=C(COc1cc(Br)ccc1F)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-(5-bromo-2-fluorophenoxy)ethanone?
The InChIKey is GEYFSONGJQQNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrFO3/c17-11-5-6-12(18)15(8-11)20-9-13(19)16-7-10-3-1-2-4-14(10)21-16/h1-8H,9H2.
What are the key properties of 1-(1-benzofuran-2-yl)-2-(5-bromo-2-fluorophenoxy)ethanone?
1-(1-benzofuran-2-yl)-2-(5-bromo-2-fluorophenoxy)ethanone has a molecular weight of 349.16 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-2-(5-bromo-2-fluorophenoxy)ethanone is sourced from PubChem (CID 114674144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).