2-(5-bromo-2,3-difluorophenoxy)-1-(2,4-dichlorophenyl)ethanone

C14H7BrCl2F2O2 — CID 107100385

IUPAC2-(5-bromo-2,3-difluorophenoxy)-1-(2,4-dichlorophenyl)ethanone
SMILESO=C(COc1cc(Br)cc(F)c1F)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H7BrCl2F2O2/c15-7-3-11(18)14(19)13(4-7)21-6-12(20)9-2-1-8(16)5-10(9)17/h1-5H,6H2
InChIKeyUPYFCZRQYUYVJJ-UHFFFAOYSA-N
MW396.01 g/mol
LogP5.30
Rot. Bonds4

About 2-(5-bromo-2,3-difluorophenoxy)-1-(2,4-dichlorophenyl)ethanone

2-(5-bromo-2,3-difluorophenoxy)-1-(2,4-dichlorophenyl)ethanone (PubChem CID 107100385) has the molecular formula C14H7BrCl2F2O2 and a molecular weight of 396.01 g/mol. Its IUPAC name is 2-(5-bromo-2,3-difluorophenoxy)-1-(2,4-dichlorophenyl)ethanone.

Molecular Properties

Compound Name2-(5-bromo-2,3-difluorophenoxy)-1-(2,4-dichlorophenyl)ethanone
PubChem CID107100385
Molecular FormulaC14H7BrCl2F2O2
Molecular Weight396.01 g/mol
Exact Mass393.90
IUPAC Name2-(5-bromo-2,3-difluorophenoxy)-1-(2,4-dichlorophenyl)ethanone
SMILESO=C(COc1cc(Br)cc(F)c1F)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H7BrCl2F2O2/c15-7-3-11(18)14(19)13(4-7)21-6-12(20)9-2-1-8(16)5-10(9)17/h1-5H,6H2
InChIKeyUPYFCZRQYUYVJJ-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-(2,4-dibromophenoxy)-1-(2,4-dichlorophenyl)ethanone
CID 60625746
2-(4-bromo-2,5-dichlorophenoxy)-1-(2,4-dichlorophenyl)ethanone
CID 107659402
2-(5-bromo-2,3-difluorophenoxy)-1-(4-bromophenyl)ethanone
CID 107100337
2-(3-bromo-2-iodophenoxy)-1-(2,4-dichlorophenyl)ethanone
CID 166094938
1-(2,4-dichlorophenyl)-2-(2,4,6-trichlorophenoxy)ethanone
CID 2302578
2-(2-bromo-4-chlorophenoxy)-1-(2,4-difluorophenyl)ethanone
CID 60656484
1-(5-bromo-2,3-difluorophenoxy)-3-methoxypropan-2-one
CID 107508257
[2-(2,4-dichlorophenyl)-2-oxoethyl] acetate
CID 59753951
5-bromo-1-[(4-chloro-2-fluorophenyl)methoxy]-2,3-difluorobenzene
CID 107098658
1-(2,4-dichlorophenyl)-2-(2-propan-2-ylphenoxy)ethanone
CID 43413856
2-(4-bromo-3-methylphenoxy)-1-(2,4-dichlorophenyl)ethanone
CID 83140733
1-(2,5-dichlorophenyl)-2-(2-fluorophenoxy)ethanone
CID 43412967

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,3-difluorophenoxy)-1-(2,4-dichlorophenyl)ethanone?
The IUPAC name of 2-(5-bromo-2,3-difluorophenoxy)-1-(2,4-dichlorophenyl)ethanone (CID 107100385) is 2-(5-bromo-2,3-difluorophenoxy)-1-(2,4-dichlorophenyl)ethanone.
What is the SMILES notation for 2-(5-bromo-2,3-difluorophenoxy)-1-(2,4-dichlorophenyl)ethanone?
The canonical SMILES for 2-(5-bromo-2,3-difluorophenoxy)-1-(2,4-dichlorophenyl)ethanone is O=C(COc1cc(Br)cc(F)c1F)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(5-bromo-2,3-difluorophenoxy)-1-(2,4-dichlorophenyl)ethanone?
The InChIKey is UPYFCZRQYUYVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrCl2F2O2/c15-7-3-11(18)14(19)13(4-7)21-6-12(20)9-2-1-8(16)5-10(9)17/h1-5H,6H2.
What are the key properties of 2-(5-bromo-2,3-difluorophenoxy)-1-(2,4-dichlorophenyl)ethanone?
2-(5-bromo-2,3-difluorophenoxy)-1-(2,4-dichlorophenyl)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-(5-bromo-2,3-difluorophenoxy)-1-(2,4-dichlorophenyl)ethanone is sourced from PubChem (CID 107100385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).