1-[5-bromo-3-fluoro-2-(2-hydroxyethoxy)phenyl]ethanone

C10H10BrFO3 — CID 86788128

IUPAC1-[5-bromo-3-fluoro-2-(2-hydroxyethoxy)phenyl]ethanone
SMILESCC(=O)c1cc(Br)cc(F)c1OCCO
InChIInChI=1S/C10H10BrFO3/c1-6(14)8-4-7(11)5-9(12)10(8)15-3-2-13/h4-5,13H,2-3H2,1H3
InChIKeyZBJIMJMIOFJPEZ-UHFFFAOYSA-N
MW277.09 g/mol
LogP2.16
Rot. Bonds4

About 1-[5-bromo-3-fluoro-2-(2-hydroxyethoxy)phenyl]ethanone

1-[5-bromo-3-fluoro-2-(2-hydroxyethoxy)phenyl]ethanone (PubChem CID 86788128) has the molecular formula C10H10BrFO3 and a molecular weight of 277.09 g/mol. Its IUPAC name is 1-[5-bromo-3-fluoro-2-(2-hydroxyethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[5-bromo-3-fluoro-2-(2-hydroxyethoxy)phenyl]ethanone
PubChem CID86788128
Molecular FormulaC10H10BrFO3
Molecular Weight277.09 g/mol
Exact Mass275.98
IUPAC Name1-[5-bromo-3-fluoro-2-(2-hydroxyethoxy)phenyl]ethanone
SMILESCC(=O)c1cc(Br)cc(F)c1OCCO
InChIInChI=1S/C10H10BrFO3/c1-6(14)8-4-7(11)5-9(12)10(8)15-3-2-13/h4-5,13H,2-3H2,1H3
InChIKeyZBJIMJMIOFJPEZ-UHFFFAOYSA-N
XLogP2.16
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.09
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-3-fluoro-2-propan-2-yloxyphenyl)ethanone
CID 83904296
2-(2-acetyl-4-bromo-6-fluorophenoxy)-N,N-diethylacetamide
CID 75520372
1-[2-(2-acetyl-4-bromo-6-fluorophenoxy)ethyl]pyrrolidin-2-one
CID 75520371
1-[5-bromo-3-fluoro-2-(pyridin-2-ylmethoxy)phenyl]ethanone
CID 84600427
1-(2-ethoxy-3,5-difluorophenyl)ethanone
CID 83880634
1-[3,5-dibromo-2-(difluoromethoxy)phenyl]ethanone
CID 131291755
1-[3-amino-5-bromo-2-(2-propoxyethoxy)phenyl]ethanone
CID 106449370
1-[3-amino-5-bromo-2-(2-phenoxyethoxy)phenyl]ethanone
CID 116541361
1-[5-bromo-2-(difluoromethoxy)-3-iodophenyl]ethanone
CID 131597785
3-(2-acetyl-4-bromo-6-fluorophenoxy)piperidine-2,6-dione
CID 166405783
2-[4-[2-[3,5-difluoro-4-(2-hydroxyethoxy)phenyl]propan-2-yl]-2,6-difluorophenoxy]ethanol
CID 139831995
1-(5-bromo-2-but-3-ynoxy-3-nitrophenyl)ethanone
CID 116541667

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-3-fluoro-2-(2-hydroxyethoxy)phenyl]ethanone?
The IUPAC name of 1-[5-bromo-3-fluoro-2-(2-hydroxyethoxy)phenyl]ethanone (CID 86788128) is 1-[5-bromo-3-fluoro-2-(2-hydroxyethoxy)phenyl]ethanone.
What is the SMILES notation for 1-[5-bromo-3-fluoro-2-(2-hydroxyethoxy)phenyl]ethanone?
The canonical SMILES for 1-[5-bromo-3-fluoro-2-(2-hydroxyethoxy)phenyl]ethanone is CC(=O)c1cc(Br)cc(F)c1OCCO.
What is the InChIKey of 1-[5-bromo-3-fluoro-2-(2-hydroxyethoxy)phenyl]ethanone?
The InChIKey is ZBJIMJMIOFJPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO3/c1-6(14)8-4-7(11)5-9(12)10(8)15-3-2-13/h4-5,13H,2-3H2,1H3.
What are the key properties of 1-[5-bromo-3-fluoro-2-(2-hydroxyethoxy)phenyl]ethanone?
1-[5-bromo-3-fluoro-2-(2-hydroxyethoxy)phenyl]ethanone has a molecular weight of 277.09 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-3-fluoro-2-(2-hydroxyethoxy)phenyl]ethanone is sourced from PubChem (CID 86788128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).