1-(1-benzofuran-2-yl)-2-(3-bromo-5-fluorophenoxy)ethanone

C16H10BrFO3 — CID 81315367

IUPAC1-(1-benzofuran-2-yl)-2-(3-bromo-5-fluorophenoxy)ethanone
SMILESO=C(COc1cc(F)cc(Br)c1)c1cc2ccccc2o1
InChIInChI=1S/C16H10BrFO3/c17-11-6-12(18)8-13(7-11)20-9-14(19)16-5-10-3-1-2-4-15(10)21-16/h1-8H,9H2
InChIKeyGUDPWUSLAMWHLV-UHFFFAOYSA-N
MW349.16 g/mol
LogP4.60
Rot. Bonds4

About 1-(1-benzofuran-2-yl)-2-(3-bromo-5-fluorophenoxy)ethanone

1-(1-benzofuran-2-yl)-2-(3-bromo-5-fluorophenoxy)ethanone (PubChem CID 81315367) has the molecular formula C16H10BrFO3 and a molecular weight of 349.16 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-(3-bromo-5-fluorophenoxy)ethanone.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-(3-bromo-5-fluorophenoxy)ethanone
PubChem CID81315367
Molecular FormulaC16H10BrFO3
Molecular Weight349.16 g/mol
Exact Mass347.98
IUPAC Name1-(1-benzofuran-2-yl)-2-(3-bromo-5-fluorophenoxy)ethanone
SMILESO=C(COc1cc(F)cc(Br)c1)c1cc2ccccc2o1
InChIInChI=1S/C16H10BrFO3/c17-11-6-12(18)8-13(7-11)20-9-14(19)16-5-10-3-1-2-4-15(10)21-16/h1-8H,9H2
InChIKeyGUDPWUSLAMWHLV-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-(4-fluorophenoxy)ethanone
CID 43413232
1-(1-benzofuran-2-yl)-2-(3,5-dichlorophenoxy)ethanone
CID 60623980
1-(1-benzofuran-2-yl)-2-(5-bromo-2-fluorophenoxy)ethanone
CID 114674144
2-(3-bromo-5-fluorophenoxy)-1-phenylethanone
CID 81332556
1-(1-benzofuran-2-yl)-2-(3-methylphenoxy)ethanone
CID 43413131
1-(1-benzofuran-2-yl)-2-(3-ethylphenoxy)ethanone
CID 43411796
[2-(1-benzofuran-2-yl)-2-oxoethyl] 2-(4-bromophenyl)acetate
CID 4239088
1-(1-benzofuran-2-yl)-2-(2-chlorophenoxy)ethanone
CID 7816108
2-(3-bromo-5-fluorophenoxy)-1-(4-ethylphenyl)ethanone
CID 81331658
2-(3-bromo-5-fluorophenoxy)acetic acid
CID 81321991
2-(3-bromo-5-fluorophenoxy)-1-(2-ethoxyphenyl)ethanone
CID 81315134
1-(1-benzofuran-2-yl)-2-ethoxyethanone
CID 43799572

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-(3-bromo-5-fluorophenoxy)ethanone?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-(3-bromo-5-fluorophenoxy)ethanone (CID 81315367) is 1-(1-benzofuran-2-yl)-2-(3-bromo-5-fluorophenoxy)ethanone.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-(3-bromo-5-fluorophenoxy)ethanone?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-(3-bromo-5-fluorophenoxy)ethanone is O=C(COc1cc(F)cc(Br)c1)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-(3-bromo-5-fluorophenoxy)ethanone?
The InChIKey is GUDPWUSLAMWHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrFO3/c17-11-6-12(18)8-13(7-11)20-9-14(19)16-5-10-3-1-2-4-15(10)21-16/h1-8H,9H2.
What are the key properties of 1-(1-benzofuran-2-yl)-2-(3-bromo-5-fluorophenoxy)ethanone?
1-(1-benzofuran-2-yl)-2-(3-bromo-5-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-(3-bromo-5-fluorophenoxy)ethanone is sourced from PubChem (CID 81315367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).