1-[3-(4-bromo-2-fluorophenoxy)phenyl]ethanone

C14H10BrFO2 — CID 79167211

IUPAC1-[3-(4-bromo-2-fluorophenoxy)phenyl]ethanone
SMILESCC(=O)c1cccc(Oc2ccc(Br)cc2F)c1
InChIInChI=1S/C14H10BrFO2/c1-9(17)10-3-2-4-12(7-10)18-14-6-5-11(15)8-13(14)16/h2-8H,1H3
InChIKeyZBNCBFPEAZVKJJ-UHFFFAOYSA-N
MW309.13 g/mol
LogP4.58
Rot. Bonds3

About 1-[3-(4-bromo-2-fluorophenoxy)phenyl]ethanone

1-[3-(4-bromo-2-fluorophenoxy)phenyl]ethanone (PubChem CID 79167211) has the molecular formula C14H10BrFO2 and a molecular weight of 309.13 g/mol. Its IUPAC name is 1-[3-(4-bromo-2-fluorophenoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(4-bromo-2-fluorophenoxy)phenyl]ethanone
PubChem CID79167211
Molecular FormulaC14H10BrFO2
Molecular Weight309.13 g/mol
Exact Mass307.98
IUPAC Name1-[3-(4-bromo-2-fluorophenoxy)phenyl]ethanone
SMILESCC(=O)c1cccc(Oc2ccc(Br)cc2F)c1
InChIInChI=1S/C14H10BrFO2/c1-9(17)10-3-2-4-12(7-10)18-14-6-5-11(15)8-13(14)16/h2-8H,1H3
InChIKeyZBNCBFPEAZVKJJ-UHFFFAOYSA-N
XLogP4.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.13
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 61395599
4-(3-acetylphenoxy)-3-fluorobenzonitrile
CID 107665227
1-[3-(2-fluoro-4-nitrophenoxy)phenyl]ethanone
CID 47184501
(4-bromo-2-fluorophenyl) 3-phenoxybenzoate
CID 7924595
1-[4-(4-bromo-2-methylphenoxy)-3-fluorophenyl]ethanone
CID 63532817
1-[3-(2-fluoro-3-methylphenoxy)phenyl]ethanone
CID 107658623
1-[3-bromo-4-(3-fluorophenoxy)phenyl]ethanone
CID 62909024
1-[3-fluoro-4-(3-methylsulfonylphenoxy)phenyl]ethanone
CID 43807076
1-[3-(2,5-dibromo-4-methoxyphenoxy)phenyl]ethanone
CID 79403294
1-[3-fluoro-4-(3-nitrophenoxy)phenyl]ethanone
CID 61030514
(3-acetylphenyl) 5-bromo-2-fluorobenzenesulfonate
CID 52821065
1-[4-(4-bromo-3,5-dimethylphenoxy)-3-fluorophenyl]ethanone
CID 107724721

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-bromo-2-fluorophenoxy)phenyl]ethanone?
The IUPAC name of 1-[3-(4-bromo-2-fluorophenoxy)phenyl]ethanone (CID 79167211) is 1-[3-(4-bromo-2-fluorophenoxy)phenyl]ethanone.
What is the SMILES notation for 1-[3-(4-bromo-2-fluorophenoxy)phenyl]ethanone?
The canonical SMILES for 1-[3-(4-bromo-2-fluorophenoxy)phenyl]ethanone is CC(=O)c1cccc(Oc2ccc(Br)cc2F)c1.
What is the InChIKey of 1-[3-(4-bromo-2-fluorophenoxy)phenyl]ethanone?
The InChIKey is ZBNCBFPEAZVKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFO2/c1-9(17)10-3-2-4-12(7-10)18-14-6-5-11(15)8-13(14)16/h2-8H,1H3.
What are the key properties of 1-[3-(4-bromo-2-fluorophenoxy)phenyl]ethanone?
1-[3-(4-bromo-2-fluorophenoxy)phenyl]ethanone has a molecular weight of 309.13 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-bromo-2-fluorophenoxy)phenyl]ethanone is sourced from PubChem (CID 79167211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).