2-(4-bromo-2-fluorophenoxy)-1-cyclopropylethanone

C11H10BrFO2 — CID 63904402

IUPAC2-(4-bromo-2-fluorophenoxy)-1-cyclopropylethanone
SMILESO=C(COc1ccc(Br)cc1F)C1CC1
InChIInChI=1S/C11H10BrFO2/c12-8-3-4-11(9(13)5-8)15-6-10(14)7-1-2-7/h3-5,7H,1-2,6H2
InChIKeyARPSHZCSDXHFQE-UHFFFAOYSA-N
MW273.10 g/mol
LogP2.95
Rot. Bonds4

About 2-(4-bromo-2-fluorophenoxy)-1-cyclopropylethanone

2-(4-bromo-2-fluorophenoxy)-1-cyclopropylethanone (PubChem CID 63904402) has the molecular formula C11H10BrFO2 and a molecular weight of 273.10 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenoxy)-1-cyclopropylethanone.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenoxy)-1-cyclopropylethanone
PubChem CID63904402
Molecular FormulaC11H10BrFO2
Molecular Weight273.10 g/mol
Exact Mass271.98
IUPAC Name2-(4-bromo-2-fluorophenoxy)-1-cyclopropylethanone
SMILESO=C(COc1ccc(Br)cc1F)C1CC1
InChIInChI=1S/C11H10BrFO2/c12-8-3-4-11(9(13)5-8)15-6-10(14)7-1-2-7/h3-5,7H,1-2,6H2
InChIKeyARPSHZCSDXHFQE-UHFFFAOYSA-N
XLogP2.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.10
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-methoxyphenoxy)-1-cyclopropylethanone
CID 58579838
1-cyclopropyl-2-(2-fluorophenoxy)ethanone
CID 63913814
1-cyclopropyl-2-(2-fluoro-4-nitrophenoxy)ethanone
CID 63903842
2-(4-bromo-2-chlorophenoxy)-1-cyclopentylethanone
CID 115648637
1-(azetidin-1-yl)-2-(4-bromo-2-fluorophenoxy)ethanone
CID 78799892
2-(4-bromo-2-fluorophenoxy)-N-piperidin-4-ylacetamide
CID 119388777
2-(4-bromo-2-fluorophenoxy)-N-(1-cyclopropylethyl)acetamide
CID 47113835
4-bromo-1-(2-bromoprop-2-enoxy)-2-fluorobenzene
CID 130721910
4-(2-cyclohexyl-2-oxoethoxy)-3-fluorobenzonitrile
CID 103793502
5-bromo-2-(2-cyclohexyl-2-oxoethoxy)benzonitrile
CID 115776936
1-[2-(4-bromo-2-fluorophenoxy)acetyl]-N-phenylpiperidine-4-carboxamide
CID 25477037
methyl 1-[2-(4-bromo-2-fluorophenoxy)acetyl]pyrrolidine-3-carboxylate
CID 112733560

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenoxy)-1-cyclopropylethanone?
The IUPAC name of 2-(4-bromo-2-fluorophenoxy)-1-cyclopropylethanone (CID 63904402) is 2-(4-bromo-2-fluorophenoxy)-1-cyclopropylethanone.
What is the SMILES notation for 2-(4-bromo-2-fluorophenoxy)-1-cyclopropylethanone?
The canonical SMILES for 2-(4-bromo-2-fluorophenoxy)-1-cyclopropylethanone is O=C(COc1ccc(Br)cc1F)C1CC1.
What is the InChIKey of 2-(4-bromo-2-fluorophenoxy)-1-cyclopropylethanone?
The InChIKey is ARPSHZCSDXHFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFO2/c12-8-3-4-11(9(13)5-8)15-6-10(14)7-1-2-7/h3-5,7H,1-2,6H2.
What are the key properties of 2-(4-bromo-2-fluorophenoxy)-1-cyclopropylethanone?
2-(4-bromo-2-fluorophenoxy)-1-cyclopropylethanone has a molecular weight of 273.10 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenoxy)-1-cyclopropylethanone is sourced from PubChem (CID 63904402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).