2-(3-bromo-4-fluorophenoxy)-1-(4-bromophenyl)ethanone

C14H9Br2FO2 — CID 83234474

IUPAC2-(3-bromo-4-fluorophenoxy)-1-(4-bromophenyl)ethanone
SMILESO=C(COc1ccc(F)c(Br)c1)c1ccc(Br)cc1
InChIInChI=1S/C14H9Br2FO2/c15-10-3-1-9(2-4-10)14(18)8-19-11-5-6-13(17)12(16)7-11/h1-7H,8H2
InChIKeyMHGDSBQCYFEPEX-UHFFFAOYSA-N
MW388.03 g/mol
LogP4.61
Rot. Bonds4

About 2-(3-bromo-4-fluorophenoxy)-1-(4-bromophenyl)ethanone

2-(3-bromo-4-fluorophenoxy)-1-(4-bromophenyl)ethanone (PubChem CID 83234474) has the molecular formula C14H9Br2FO2 and a molecular weight of 388.03 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenoxy)-1-(4-bromophenyl)ethanone.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenoxy)-1-(4-bromophenyl)ethanone
PubChem CID83234474
Molecular FormulaC14H9Br2FO2
Molecular Weight388.03 g/mol
Exact Mass385.90
IUPAC Name2-(3-bromo-4-fluorophenoxy)-1-(4-bromophenyl)ethanone
SMILESO=C(COc1ccc(F)c(Br)c1)c1ccc(Br)cc1
InChIInChI=1S/C14H9Br2FO2/c15-10-3-1-9(2-4-10)14(18)8-19-11-5-6-13(17)12(16)7-11/h1-7H,8H2
InChIKeyMHGDSBQCYFEPEX-UHFFFAOYSA-N
XLogP4.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.03
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-2-(3,4-difluorophenoxy)ethanone
CID 43612513
2-(4-bromo-3-fluorophenoxy)-1-(4-bromophenyl)ethanone
CID 65201551
2-(3-bromo-4-fluorophenoxy)-1-(3,4-dimethylphenyl)ethanone
CID 83234637
2-(3-bromo-4-fluorophenoxy)acetic acid
CID 83231542
2-(6-bromonaphthalen-2-yl)oxy-1-(4-chlorophenyl)ethanone
CID 4213919
2-(3,4-difluorophenoxy)-1-(3,4-difluorophenyl)ethanone
CID 43612522
2-(3,4-difluorophenoxy)-1-(4-methylphenyl)ethanone
CID 43612523
2-(3,4-difluorophenoxy)-1-(4-iodophenyl)ethanone
CID 43612503
2-[4-(bromomethyl)phenoxy]-1-(4-bromophenyl)ethanone
CID 67899293
2-(5-bromo-2,3-difluorophenoxy)-1-(4-bromophenyl)ethanone
CID 107100337
2-(5-bromo-2-fluorophenoxy)-1-(4-chlorophenyl)ethanone
CID 114674085
1-(4-bromophenyl)-2-(3-ethoxyphenoxy)ethanone
CID 62337475

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenoxy)-1-(4-bromophenyl)ethanone?
The IUPAC name of 2-(3-bromo-4-fluorophenoxy)-1-(4-bromophenyl)ethanone (CID 83234474) is 2-(3-bromo-4-fluorophenoxy)-1-(4-bromophenyl)ethanone.
What is the SMILES notation for 2-(3-bromo-4-fluorophenoxy)-1-(4-bromophenyl)ethanone?
The canonical SMILES for 2-(3-bromo-4-fluorophenoxy)-1-(4-bromophenyl)ethanone is O=C(COc1ccc(F)c(Br)c1)c1ccc(Br)cc1.
What is the InChIKey of 2-(3-bromo-4-fluorophenoxy)-1-(4-bromophenyl)ethanone?
The InChIKey is MHGDSBQCYFEPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2FO2/c15-10-3-1-9(2-4-10)14(18)8-19-11-5-6-13(17)12(16)7-11/h1-7H,8H2.
What are the key properties of 2-(3-bromo-4-fluorophenoxy)-1-(4-bromophenyl)ethanone?
2-(3-bromo-4-fluorophenoxy)-1-(4-bromophenyl)ethanone has a molecular weight of 388.03 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenoxy)-1-(4-bromophenyl)ethanone is sourced from PubChem (CID 83234474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).