1-(7-bromo-1-benzofuran-2-yl)-2-(4-fluorophenyl)ethanone

C16H10BrFO2 — CID 105078433

IUPAC1-(7-bromo-1-benzofuran-2-yl)-2-(4-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1)c1cc2cccc(Br)c2o1
InChIInChI=1S/C16H10BrFO2/c17-13-3-1-2-11-9-15(20-16(11)13)14(19)8-10-4-6-12(18)7-5-10/h1-7,9H,8H2
InChIKeyKEVMPYVKSRIUJO-UHFFFAOYSA-N
MW333.16 g/mol
LogP4.76
Rot. Bonds3

About 1-(7-bromo-1-benzofuran-2-yl)-2-(4-fluorophenyl)ethanone

1-(7-bromo-1-benzofuran-2-yl)-2-(4-fluorophenyl)ethanone (PubChem CID 105078433) has the molecular formula C16H10BrFO2 and a molecular weight of 333.16 g/mol. Its IUPAC name is 1-(7-bromo-1-benzofuran-2-yl)-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(7-bromo-1-benzofuran-2-yl)-2-(4-fluorophenyl)ethanone
PubChem CID105078433
Molecular FormulaC16H10BrFO2
Molecular Weight333.16 g/mol
Exact Mass331.98
IUPAC Name1-(7-bromo-1-benzofuran-2-yl)-2-(4-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1)c1cc2cccc(Br)c2o1
InChIInChI=1S/C16H10BrFO2/c17-13-3-1-2-11-9-15(20-16(11)13)14(19)8-10-4-6-12(18)7-5-10/h1-7,9H,8H2
InChIKeyKEVMPYVKSRIUJO-UHFFFAOYSA-N
XLogP4.76
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.16
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-bromo-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanone
CID 105078047
1-(7-bromo-1-benzofuran-2-yl)-2-(furan-3-yl)ethanone
CID 105126036
2-(4-bromophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 114724990
1-(7-bromo-1-benzofuran-2-yl)-4,4-dimethylpentan-1-one
CID 105093405
7-bromo-N-(2,5-difluorophenyl)-1-benzofuran-2-carboxamide
CID 38897845
7-bromo-N-[2-(3-fluorophenyl)ethyl]-1-benzofuran-2-carboxamide
CID 38930964
(7-bromo-1-benzofuran-2-yl)-(5-fluoro-2-methoxyphenyl)methanone
CID 105125170
(7-bromo-1-benzofuran-2-yl)-(5-fluoro-3-pyridinyl)methanone
CID 105081902
1-(4,5-dibromothiophen-2-yl)-2-(4-fluorophenyl)ethanone
CID 80532635
2-(4-aminophenyl)-1-(5-fluoro-1-benzofuran-2-yl)ethanone
CID 114736180
N-[(4-aminophenyl)methyl]-7-bromo-1-benzofuran-2-carboxamide
CID 116650020
(7-bromo-1-benzofuran-2-yl)-(2,6-difluoro-3-methylphenyl)methanone
CID 105124504

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-1-benzofuran-2-yl)-2-(4-fluorophenyl)ethanone?
The IUPAC name of 1-(7-bromo-1-benzofuran-2-yl)-2-(4-fluorophenyl)ethanone (CID 105078433) is 1-(7-bromo-1-benzofuran-2-yl)-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-(7-bromo-1-benzofuran-2-yl)-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-(7-bromo-1-benzofuran-2-yl)-2-(4-fluorophenyl)ethanone is O=C(Cc1ccc(F)cc1)c1cc2cccc(Br)c2o1.
What is the InChIKey of 1-(7-bromo-1-benzofuran-2-yl)-2-(4-fluorophenyl)ethanone?
The InChIKey is KEVMPYVKSRIUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrFO2/c17-13-3-1-2-11-9-15(20-16(11)13)14(19)8-10-4-6-12(18)7-5-10/h1-7,9H,8H2.
What are the key properties of 1-(7-bromo-1-benzofuran-2-yl)-2-(4-fluorophenyl)ethanone?
1-(7-bromo-1-benzofuran-2-yl)-2-(4-fluorophenyl)ethanone has a molecular weight of 333.16 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-1-benzofuran-2-yl)-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 105078433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).