2-(2-bromophenoxy)-1-(4-fluorophenyl)ethanone

C14H10BrFO2 — CID 10638587

IUPAC2-(2-bromophenoxy)-1-(4-fluorophenyl)ethanone
SMILESO=C(COc1ccccc1Br)c1ccc(F)cc1
InChIInChI=1S/C14H10BrFO2/c15-12-3-1-2-4-14(12)18-9-13(17)10-5-7-11(16)8-6-10/h1-8H,9H2
InChIKeyCETUNAGEDGHEPP-UHFFFAOYSA-N
MW309.13 g/mol
LogP3.85
Rot. Bonds4

About 2-(2-bromophenoxy)-1-(4-fluorophenyl)ethanone

2-(2-bromophenoxy)-1-(4-fluorophenyl)ethanone (PubChem CID 10638587) has the molecular formula C14H10BrFO2 and a molecular weight of 309.13 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-1-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-(2-bromophenoxy)-1-(4-fluorophenyl)ethanone
PubChem CID10638587
Molecular FormulaC14H10BrFO2
Molecular Weight309.13 g/mol
Exact Mass307.98
IUPAC Name2-(2-bromophenoxy)-1-(4-fluorophenyl)ethanone
SMILESO=C(COc1ccccc1Br)c1ccc(F)cc1
InChIInChI=1S/C14H10BrFO2/c15-12-3-1-2-4-14(12)18-9-13(17)10-5-7-11(16)8-6-10/h1-8H,9H2
InChIKeyCETUNAGEDGHEPP-UHFFFAOYSA-N
XLogP3.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.13
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-ethylphenoxy)-1-(4-fluorophenyl)ethanone
CID 43412427
2-(2-bromophenoxy)-1-(2-bromophenyl)ethanone
CID 60623805
1-(4-fluorophenyl)-2-[2-(2-hydroxyethyl)phenoxy]ethanone
CID 107712874
1-(4-fluorophenyl)-2-(2,4,6-tribromophenoxy)ethanone
CID 60665300
2-(2,3-dimethylphenoxy)-1-(4-fluorophenyl)ethanone
CID 2179596
1-(4-bromophenyl)-2-(2-chloro-4-fluorophenoxy)ethanone
CID 60624463
2-(2-bromophenoxy)-1-(3-methoxyphenyl)ethanone
CID 60623809
2-[2-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]isoindole-1,3-dione
CID 1217719
2-chloro-6-[2-(4-fluorophenyl)-2-oxoethoxy]benzonitrile
CID 114323689
2-(2-bromophenoxy)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 42980776
2-(2-chloro-4-methylphenoxy)-1-(4-fluorophenyl)ethanone
CID 62671843
2-(2,6-dibromophenoxy)-1-phenylethanone
CID 60593987

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-1-(4-fluorophenyl)ethanone?
The IUPAC name of 2-(2-bromophenoxy)-1-(4-fluorophenyl)ethanone (CID 10638587) is 2-(2-bromophenoxy)-1-(4-fluorophenyl)ethanone.
What is the SMILES notation for 2-(2-bromophenoxy)-1-(4-fluorophenyl)ethanone?
The canonical SMILES for 2-(2-bromophenoxy)-1-(4-fluorophenyl)ethanone is O=C(COc1ccccc1Br)c1ccc(F)cc1.
What is the InChIKey of 2-(2-bromophenoxy)-1-(4-fluorophenyl)ethanone?
The InChIKey is CETUNAGEDGHEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFO2/c15-12-3-1-2-4-14(12)18-9-13(17)10-5-7-11(16)8-6-10/h1-8H,9H2.
What are the key properties of 2-(2-bromophenoxy)-1-(4-fluorophenyl)ethanone?
2-(2-bromophenoxy)-1-(4-fluorophenyl)ethanone has a molecular weight of 309.13 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-1-(4-fluorophenyl)ethanone is sourced from PubChem (CID 10638587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).