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

C14H8Br2F2O2 — CID 107100337

IUPAC2-(5-bromo-2,3-difluorophenoxy)-1-(4-bromophenyl)ethanone
SMILESO=C(COc1cc(Br)cc(F)c1F)c1ccc(Br)cc1
InChIInChI=1S/C14H8Br2F2O2/c15-9-3-1-8(2-4-9)12(19)7-20-13-6-10(16)5-11(17)14(13)18/h1-6H,7H2
InChIKeyBVEKDNSEDYWDLL-UHFFFAOYSA-N
MW406.02 g/mol
LogP4.75
Rot. Bonds4

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

2-(5-bromo-2,3-difluorophenoxy)-1-(4-bromophenyl)ethanone (PubChem CID 107100337) has the molecular formula C14H8Br2F2O2 and a molecular weight of 406.02 g/mol. Its IUPAC name is 2-(5-bromo-2,3-difluorophenoxy)-1-(4-bromophenyl)ethanone.

Molecular Properties

Compound Name2-(5-bromo-2,3-difluorophenoxy)-1-(4-bromophenyl)ethanone
PubChem CID107100337
Molecular FormulaC14H8Br2F2O2
Molecular Weight406.02 g/mol
Exact Mass403.89
IUPAC Name2-(5-bromo-2,3-difluorophenoxy)-1-(4-bromophenyl)ethanone
SMILESO=C(COc1cc(Br)cc(F)c1F)c1ccc(Br)cc1
InChIInChI=1S/C14H8Br2F2O2/c15-9-3-1-8(2-4-9)12(19)7-20-13-6-10(16)5-11(17)14(13)18/h1-6H,7H2
InChIKeyBVEKDNSEDYWDLL-UHFFFAOYSA-N
XLogP4.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.02
LogP ≤ 54.75
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-(5-bromo-2-fluorophenoxy)-1-(4-chlorophenyl)ethanone
CID 114674085
2-(5-bromo-2-fluorophenoxy)-1-(4-methylphenyl)ethanone
CID 114674097
2-(5-bromo-2,3-difluorophenoxy)-1-(2,4-dichlorophenyl)ethanone
CID 107100385
1-(4-bromophenyl)-2-(3,4-difluorophenoxy)ethanone
CID 43612513
1-(5-bromo-2,3-difluorophenoxy)-3-methoxypropan-2-one
CID 107508257
1-(4-bromophenyl)-2-(2-chloro-4-fluorophenoxy)ethanone
CID 60624463
2-(4-bromo-3-fluorophenoxy)-1-(4-bromophenyl)ethanone
CID 65201551
2-(3-bromo-4-fluorophenoxy)-1-(4-bromophenyl)ethanone
CID 83234474
2-(5-bromo-2,3-difluorophenoxy)ethanethioamide
CID 107098426
1-(4-fluorophenyl)-2-(2,4,6-tribromophenoxy)ethanone
CID 60665300
2-(5-bromo-2,3-difluorophenoxy)ethanimidamide
CID 107099812
2-(4-bromo-2-fluorophenoxy)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
CID 7500205

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,3-difluorophenoxy)-1-(4-bromophenyl)ethanone?
The IUPAC name of 2-(5-bromo-2,3-difluorophenoxy)-1-(4-bromophenyl)ethanone (CID 107100337) is 2-(5-bromo-2,3-difluorophenoxy)-1-(4-bromophenyl)ethanone.
What is the SMILES notation for 2-(5-bromo-2,3-difluorophenoxy)-1-(4-bromophenyl)ethanone?
The canonical SMILES for 2-(5-bromo-2,3-difluorophenoxy)-1-(4-bromophenyl)ethanone is O=C(COc1cc(Br)cc(F)c1F)c1ccc(Br)cc1.
What is the InChIKey of 2-(5-bromo-2,3-difluorophenoxy)-1-(4-bromophenyl)ethanone?
The InChIKey is BVEKDNSEDYWDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br2F2O2/c15-9-3-1-8(2-4-9)12(19)7-20-13-6-10(16)5-11(17)14(13)18/h1-6H,7H2.
What are the key properties of 2-(5-bromo-2,3-difluorophenoxy)-1-(4-bromophenyl)ethanone?
2-(5-bromo-2,3-difluorophenoxy)-1-(4-bromophenyl)ethanone has a molecular weight of 406.02 g/mol, XLogP of 4.75, 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-(4-bromophenyl)ethanone is sourced from PubChem (CID 107100337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).