2-(4-bromo-2,5-dichlorophenoxy)-1-(2,4-difluorophenyl)ethanone

C14H7BrCl2F2O2 — CID 107659375

IUPAC2-(4-bromo-2,5-dichlorophenoxy)-1-(2,4-difluorophenyl)ethanone
SMILESO=C(COc1cc(Cl)c(Br)cc1Cl)c1ccc(F)cc1F
InChIInChI=1S/C14H7BrCl2F2O2/c15-9-4-11(17)14(5-10(9)16)21-6-13(20)8-2-1-7(18)3-12(8)19/h1-5H,6H2
InChIKeyZUEWKAKOELEKTR-UHFFFAOYSA-N
MW396.01 g/mol
LogP5.30
Rot. Bonds4

About 2-(4-bromo-2,5-dichlorophenoxy)-1-(2,4-difluorophenyl)ethanone

2-(4-bromo-2,5-dichlorophenoxy)-1-(2,4-difluorophenyl)ethanone (PubChem CID 107659375) has the molecular formula C14H7BrCl2F2O2 and a molecular weight of 396.01 g/mol. Its IUPAC name is 2-(4-bromo-2,5-dichlorophenoxy)-1-(2,4-difluorophenyl)ethanone.

Molecular Properties

Compound Name2-(4-bromo-2,5-dichlorophenoxy)-1-(2,4-difluorophenyl)ethanone
PubChem CID107659375
Molecular FormulaC14H7BrCl2F2O2
Molecular Weight396.01 g/mol
Exact Mass393.90
IUPAC Name2-(4-bromo-2,5-dichlorophenoxy)-1-(2,4-difluorophenyl)ethanone
SMILESO=C(COc1cc(Cl)c(Br)cc1Cl)c1ccc(F)cc1F
InChIInChI=1S/C14H7BrCl2F2O2/c15-9-4-11(17)14(5-10(9)16)21-6-13(20)8-2-1-7(18)3-12(8)19/h1-5H,6H2
InChIKeyZUEWKAKOELEKTR-UHFFFAOYSA-N
XLogP5.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.01
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromo-4-chlorophenoxy)-1-(2,4-difluorophenyl)ethanone
CID 60656484
2-(4-bromo-2,5-dichlorophenoxy)-1-(2,4-dichlorophenyl)ethanone
CID 107659402
1-(2,4-difluorophenyl)-2-(5-fluoro-2-methylphenoxy)ethanone
CID 102982740
4-chloro-2-[2-(2,4-difluorophenyl)-2-oxoethoxy]benzonitrile
CID 114323759
2-(3-chlorophenoxy)-1-(2,4-difluorophenyl)ethanone
CID 60656400
2-(2,5-dichlorophenoxy)-1-(2-fluorophenyl)ethanone
CID 60623205
2-(2,5-difluorophenoxy)-1-(2-fluorophenyl)ethanone
CID 63269522
2-(3,4-difluorophenoxy)-1-(2,4-difluorophenyl)ethanone
CID 43612511
1-(4-bromophenyl)-2-(2-chloro-4-fluorophenoxy)ethanone
CID 60624463
2-(4-bromo-2,5-dichlorophenoxy)-1-(1-methylpyrrol-3-yl)ethanone
CID 106544771
2-(4-bromo-2-chloro-5-fluorophenoxy)-1-(1-methylpyrrol-3-yl)ethanone
CID 114270934
2-[(4-bromo-2,5-dichlorophenoxy)methyl]prop-2-enoic acid
CID 107654981

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,5-dichlorophenoxy)-1-(2,4-difluorophenyl)ethanone?
The IUPAC name of 2-(4-bromo-2,5-dichlorophenoxy)-1-(2,4-difluorophenyl)ethanone (CID 107659375) is 2-(4-bromo-2,5-dichlorophenoxy)-1-(2,4-difluorophenyl)ethanone.
What is the SMILES notation for 2-(4-bromo-2,5-dichlorophenoxy)-1-(2,4-difluorophenyl)ethanone?
The canonical SMILES for 2-(4-bromo-2,5-dichlorophenoxy)-1-(2,4-difluorophenyl)ethanone is O=C(COc1cc(Cl)c(Br)cc1Cl)c1ccc(F)cc1F.
What is the InChIKey of 2-(4-bromo-2,5-dichlorophenoxy)-1-(2,4-difluorophenyl)ethanone?
The InChIKey is ZUEWKAKOELEKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrCl2F2O2/c15-9-4-11(17)14(5-10(9)16)21-6-13(20)8-2-1-7(18)3-12(8)19/h1-5H,6H2.
What are the key properties of 2-(4-bromo-2,5-dichlorophenoxy)-1-(2,4-difluorophenyl)ethanone?
2-(4-bromo-2,5-dichlorophenoxy)-1-(2,4-difluorophenyl)ethanone has a molecular weight of 396.01 g/mol, XLogP of 5.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,5-dichlorophenoxy)-1-(2,4-difluorophenyl)ethanone is sourced from PubChem (CID 107659375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).