2-(2-bromo-4-chlorophenoxy)-1-(2,4-difluorophenyl)ethanone

C14H8BrClF2O2 — CID 60656484

IUPAC2-(2-bromo-4-chlorophenoxy)-1-(2,4-difluorophenyl)ethanone
SMILESO=C(COc1ccc(Cl)cc1Br)c1ccc(F)cc1F
InChIInChI=1S/C14H8BrClF2O2/c15-11-5-8(16)1-4-14(11)20-7-13(19)10-3-2-9(17)6-12(10)18/h1-6H,7H2
InChIKeyKKYSNAOKAXUBQI-UHFFFAOYSA-N
MW361.57 g/mol
LogP4.64
Rot. Bonds4

About 2-(2-bromo-4-chlorophenoxy)-1-(2,4-difluorophenyl)ethanone

2-(2-bromo-4-chlorophenoxy)-1-(2,4-difluorophenyl)ethanone (PubChem CID 60656484) has the molecular formula C14H8BrClF2O2 and a molecular weight of 361.57 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-1-(2,4-difluorophenyl)ethanone.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-1-(2,4-difluorophenyl)ethanone
PubChem CID60656484
Molecular FormulaC14H8BrClF2O2
Molecular Weight361.57 g/mol
Exact Mass359.94
IUPAC Name2-(2-bromo-4-chlorophenoxy)-1-(2,4-difluorophenyl)ethanone
SMILESO=C(COc1ccc(Cl)cc1Br)c1ccc(F)cc1F
InChIInChI=1S/C14H8BrClF2O2/c15-11-5-8(16)1-4-14(11)20-7-13(19)10-3-2-9(17)6-12(10)18/h1-6H,7H2
InChIKeyKKYSNAOKAXUBQI-UHFFFAOYSA-N
XLogP4.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.57
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2,5-dichlorophenoxy)-1-(2,4-difluorophenyl)ethanone
CID 107659375
4-chloro-2-[2-(2,4-difluorophenyl)-2-oxoethoxy]benzonitrile
CID 114323759
2-(2,4-dibromophenoxy)-1-(2,4-dichlorophenyl)ethanone
CID 60625746
2-(3-chlorophenoxy)-1-(2,4-difluorophenyl)ethanone
CID 60656400
1-(2,4-difluorophenyl)-2-(5-fluoro-2-methylphenoxy)ethanone
CID 102982740
2-(2-bromo-4-chlorophenoxy)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 55373790
2-(3-bromo-2-iodophenoxy)-1-(2,4-dichlorophenyl)ethanone
CID 166094938
2-(2-bromo-4-chlorophenoxy)-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone
CID 31120315
2-(2-bromo-4-fluorophenoxy)-N-(2,5-dichlorophenyl)acetamide
CID 7899911
2-(3,4-difluorophenoxy)-1-(2,4-difluorophenyl)ethanone
CID 43612511
2-(4-bromo-2-fluorophenoxy)-1-(2,5-difluorophenyl)ethanone
CID 60626920
2-(4-bromo-2,5-dichlorophenoxy)-1-(2,4-dichlorophenyl)ethanone
CID 107659402

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-1-(2,4-difluorophenyl)ethanone?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-1-(2,4-difluorophenyl)ethanone (CID 60656484) is 2-(2-bromo-4-chlorophenoxy)-1-(2,4-difluorophenyl)ethanone.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-1-(2,4-difluorophenyl)ethanone?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-1-(2,4-difluorophenyl)ethanone is O=C(COc1ccc(Cl)cc1Br)c1ccc(F)cc1F.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-1-(2,4-difluorophenyl)ethanone?
The InChIKey is KKYSNAOKAXUBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClF2O2/c15-11-5-8(16)1-4-14(11)20-7-13(19)10-3-2-9(17)6-12(10)18/h1-6H,7H2.
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-1-(2,4-difluorophenyl)ethanone?
2-(2-bromo-4-chlorophenoxy)-1-(2,4-difluorophenyl)ethanone has a molecular weight of 361.57 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)-1-(2,4-difluorophenyl)ethanone is sourced from PubChem (CID 60656484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).