2-(2-bromo-5-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone

C16H12BrFO2 — CID 114968207

IUPAC2-(2-bromo-5-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone
SMILESO=C(Cc1cc(F)ccc1Br)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H12BrFO2/c17-14-3-2-13(18)8-12(14)9-15(19)10-1-4-16-11(7-10)5-6-20-16/h1-4,7-8H,5-6,9H2
InChIKeyMGWHMJGQGDJYLT-UHFFFAOYSA-N
MW335.17 g/mol
LogP3.95
Rot. Bonds3

About 2-(2-bromo-5-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone

2-(2-bromo-5-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone (PubChem CID 114968207) has the molecular formula C16H12BrFO2 and a molecular weight of 335.17 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone
PubChem CID114968207
Molecular FormulaC16H12BrFO2
Molecular Weight335.17 g/mol
Exact Mass334.00
IUPAC Name2-(2-bromo-5-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone
SMILESO=C(Cc1cc(F)ccc1Br)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H12BrFO2/c17-14-3-2-13(18)8-12(14)9-15(19)10-1-4-16-11(7-10)5-6-20-16/h1-4,7-8H,5-6,9H2
InChIKeyMGWHMJGQGDJYLT-UHFFFAOYSA-N
XLogP3.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.17
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-4-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 114968030
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 115812718
(3-bromo-2,6-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 106944382
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 114974471
3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopropanal
CID 116821577
(2-chloro-4-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43160534
1-(2,3-dihydro-1-benzofuran-5-yl)-2-thiophen-3-ylethanone
CID 62199397
1-(3-fluoro-6,7-dihydrobenzo[d][1]benzoxepin-9-yl)propan-1-one
CID 171048804
N-(2,4-difluorophenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 47160884
N-[(4-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 47160691
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
1-(3,4-dihydro-2H-chromen-6-yl)-2-(2-methoxyphenyl)ethanone
CID 61027750

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone?
The IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone (CID 114968207) is 2-(2-bromo-5-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone.
What is the SMILES notation for 2-(2-bromo-5-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone?
The canonical SMILES for 2-(2-bromo-5-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone is O=C(Cc1cc(F)ccc1Br)c1ccc2c(c1)CCO2.
What is the InChIKey of 2-(2-bromo-5-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone?
The InChIKey is MGWHMJGQGDJYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFO2/c17-14-3-2-13(18)8-12(14)9-15(19)10-1-4-16-11(7-10)5-6-20-16/h1-4,7-8H,5-6,9H2.
What are the key properties of 2-(2-bromo-5-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone?
2-(2-bromo-5-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone has a molecular weight of 335.17 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone is sourced from PubChem (CID 114968207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).