1-(3-bromo-4-fluorophenoxy)-3-(4-fluorophenyl)propan-2-one

C15H11BrF2O2 — CID 83234141

IUPAC1-(3-bromo-4-fluorophenoxy)-3-(4-fluorophenyl)propan-2-one
SMILESO=C(COc1ccc(F)c(Br)c1)Cc1ccc(F)cc1
InChIInChI=1S/C15H11BrF2O2/c16-14-8-13(5-6-15(14)18)20-9-12(19)7-10-1-3-11(17)4-2-10/h1-6,8H,7,9H2
InChIKeyJQUVJJVGEZASBU-UHFFFAOYSA-N
MW341.15 g/mol
LogP3.92
Rot. Bonds5

About 1-(3-bromo-4-fluorophenoxy)-3-(4-fluorophenyl)propan-2-one

1-(3-bromo-4-fluorophenoxy)-3-(4-fluorophenyl)propan-2-one (PubChem CID 83234141) has the molecular formula C15H11BrF2O2 and a molecular weight of 341.15 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenoxy)-3-(4-fluorophenyl)propan-2-one.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenoxy)-3-(4-fluorophenyl)propan-2-one
PubChem CID83234141
Molecular FormulaC15H11BrF2O2
Molecular Weight341.15 g/mol
Exact Mass339.99
IUPAC Name1-(3-bromo-4-fluorophenoxy)-3-(4-fluorophenyl)propan-2-one
SMILESO=C(COc1ccc(F)c(Br)c1)Cc1ccc(F)cc1
InChIInChI=1S/C15H11BrF2O2/c16-14-8-13(5-6-15(14)18)20-9-12(19)7-10-1-3-11(17)4-2-10/h1-6,8H,7,9H2
InChIKeyJQUVJJVGEZASBU-UHFFFAOYSA-N
XLogP3.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.15
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-fluorophenyl)-3-(4-chlorophenoxy)propan-2-one
CID 105083862
1-(3,5-dichlorophenoxy)-3-(4-fluorophenyl)propan-2-one
CID 62033460
1-(4-bromo-3,5-dimethylphenoxy)-3-(4-fluorophenyl)propan-2-one
CID 107725192
2-(3-bromo-4-fluorophenoxy)acetic acid
CID 83231542
1-(2-bromo-4-fluorophenoxy)-3-(4-fluorophenyl)propan-2-one
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1-(4-fluorophenoxy)-3-phenylpropan-2-one
CID 43799903
2-[4-[(3-bromo-4-fluorophenoxy)methyl]phenyl]acetohydrazide
CID 105351576
1-(4-fluorophenyl)-3-(4-nitrophenoxy)propan-2-one
CID 61031388
1-(4-fluorophenyl)-3-[3-(methoxymethyl)phenoxy]propan-2-one
CID 63985981
3-[3-(4-fluorophenyl)-2-oxopropoxy]benzonitrile
CID 62030654
1-(3-bromo-4-fluorophenyl)-2-(4-fluorophenyl)ethanone
CID 79737324
2-(3-bromo-4-fluorophenoxy)-1-(4-bromophenyl)ethanone
CID 83234474

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenoxy)-3-(4-fluorophenyl)propan-2-one?
The IUPAC name of 1-(3-bromo-4-fluorophenoxy)-3-(4-fluorophenyl)propan-2-one (CID 83234141) is 1-(3-bromo-4-fluorophenoxy)-3-(4-fluorophenyl)propan-2-one.
What is the SMILES notation for 1-(3-bromo-4-fluorophenoxy)-3-(4-fluorophenyl)propan-2-one?
The canonical SMILES for 1-(3-bromo-4-fluorophenoxy)-3-(4-fluorophenyl)propan-2-one is O=C(COc1ccc(F)c(Br)c1)Cc1ccc(F)cc1.
What is the InChIKey of 1-(3-bromo-4-fluorophenoxy)-3-(4-fluorophenyl)propan-2-one?
The InChIKey is JQUVJJVGEZASBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF2O2/c16-14-8-13(5-6-15(14)18)20-9-12(19)7-10-1-3-11(17)4-2-10/h1-6,8H,7,9H2.
What are the key properties of 1-(3-bromo-4-fluorophenoxy)-3-(4-fluorophenyl)propan-2-one?
1-(3-bromo-4-fluorophenoxy)-3-(4-fluorophenyl)propan-2-one has a molecular weight of 341.15 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-fluorophenoxy)-3-(4-fluorophenyl)propan-2-one is sourced from PubChem (CID 83234141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).