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

C14H8BrF3O2 — CID 60626920

IUPAC2-(4-bromo-2-fluorophenoxy)-1-(2,5-difluorophenyl)ethanone
SMILESO=C(COc1ccc(Br)cc1F)c1cc(F)ccc1F
InChIInChI=1S/C14H8BrF3O2/c15-8-1-4-14(12(18)5-8)20-7-13(19)10-6-9(16)2-3-11(10)17/h1-6H,7H2
InChIKeyCAMNEHBBLSFEAV-UHFFFAOYSA-N
MW345.11 g/mol
LogP4.13
Rot. Bonds4

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

2-(4-bromo-2-fluorophenoxy)-1-(2,5-difluorophenyl)ethanone (PubChem CID 60626920) has the molecular formula C14H8BrF3O2 and a molecular weight of 345.11 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenoxy)-1-(2,5-difluorophenyl)ethanone.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenoxy)-1-(2,5-difluorophenyl)ethanone
PubChem CID60626920
Molecular FormulaC14H8BrF3O2
Molecular Weight345.11 g/mol
Exact Mass343.97
IUPAC Name2-(4-bromo-2-fluorophenoxy)-1-(2,5-difluorophenyl)ethanone
SMILESO=C(COc1ccc(Br)cc1F)c1cc(F)ccc1F
InChIInChI=1S/C14H8BrF3O2/c15-8-1-4-14(12(18)5-8)20-7-13(19)10-6-9(16)2-3-11(10)17/h1-6H,7H2
InChIKeyCAMNEHBBLSFEAV-UHFFFAOYSA-N
XLogP4.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.11
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenoxy)-1-(2,5-difluorophenyl)ethanone
CID 60625676
2-(3,5-difluorophenoxy)-1-(2,5-difluorophenyl)ethanone
CID 62785048
2-(4-bromo-2-fluorophenoxy)-N-(2,4-difluorophenyl)acetamide
CID 2523027
N'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-(4-fluorophenoxy)acetohydrazide
CID 26929895
2-(2-bromo-4-chlorophenoxy)-1-(2,4-difluorophenyl)ethanone
CID 60656484
2-[2-(2,5-difluorophenyl)-2-oxoethoxy]benzonitrile
CID 60643058
2-(2,5-difluorophenoxy)-1-(2-fluorophenyl)ethanone
CID 63269522
(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methanone
CID 43337432
2-(4-bromo-2-fluorophenoxy)-1-cyclopropylethanone
CID 63904402
4-bromo-1-(2-bromoprop-2-enoxy)-2-fluorobenzene
CID 130721910
2-(3-chloro-4-fluorophenoxy)-1-(2,5-difluorophenyl)ethanone
CID 60624522
2-(2,4-difluorophenoxy)-1-(2,4-dihydroxy-5-methylphenyl)ethanone
CID 118401895

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenoxy)-1-(2,5-difluorophenyl)ethanone?
The IUPAC name of 2-(4-bromo-2-fluorophenoxy)-1-(2,5-difluorophenyl)ethanone (CID 60626920) is 2-(4-bromo-2-fluorophenoxy)-1-(2,5-difluorophenyl)ethanone.
What is the SMILES notation for 2-(4-bromo-2-fluorophenoxy)-1-(2,5-difluorophenyl)ethanone?
The canonical SMILES for 2-(4-bromo-2-fluorophenoxy)-1-(2,5-difluorophenyl)ethanone is O=C(COc1ccc(Br)cc1F)c1cc(F)ccc1F.
What is the InChIKey of 2-(4-bromo-2-fluorophenoxy)-1-(2,5-difluorophenyl)ethanone?
The InChIKey is CAMNEHBBLSFEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrF3O2/c15-8-1-4-14(12(18)5-8)20-7-13(19)10-6-9(16)2-3-11(10)17/h1-6H,7H2.
What are the key properties of 2-(4-bromo-2-fluorophenoxy)-1-(2,5-difluorophenyl)ethanone?
2-(4-bromo-2-fluorophenoxy)-1-(2,5-difluorophenyl)ethanone has a molecular weight of 345.11 g/mol, XLogP of 4.13, 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-fluorophenoxy)-1-(2,5-difluorophenyl)ethanone is sourced from PubChem (CID 60626920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).