2-(3-bromo-5-fluorophenoxy)-1-(3-fluoro-4-methoxyphenyl)ethanone

C15H11BrF2O3 — CID 81315368

IUPAC2-(3-bromo-5-fluorophenoxy)-1-(3-fluoro-4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)COc2cc(F)cc(Br)c2)cc1F
InChIInChI=1S/C15H11BrF2O3/c1-20-15-3-2-9(4-13(15)18)14(19)8-21-12-6-10(16)5-11(17)7-12/h2-7H,8H2,1H3
InChIKeyJUMVACNYVDMKAL-UHFFFAOYSA-N
MW357.15 g/mol
LogP4.00
Rot. Bonds5

About 2-(3-bromo-5-fluorophenoxy)-1-(3-fluoro-4-methoxyphenyl)ethanone

2-(3-bromo-5-fluorophenoxy)-1-(3-fluoro-4-methoxyphenyl)ethanone (PubChem CID 81315368) has the molecular formula C15H11BrF2O3 and a molecular weight of 357.15 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenoxy)-1-(3-fluoro-4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenoxy)-1-(3-fluoro-4-methoxyphenyl)ethanone
PubChem CID81315368
Molecular FormulaC15H11BrF2O3
Molecular Weight357.15 g/mol
Exact Mass355.99
IUPAC Name2-(3-bromo-5-fluorophenoxy)-1-(3-fluoro-4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)COc2cc(F)cc(Br)c2)cc1F
InChIInChI=1S/C15H11BrF2O3/c1-20-15-3-2-9(4-13(15)18)14(19)8-21-12-6-10(16)5-11(17)7-12/h2-7H,8H2,1H3
InChIKeyJUMVACNYVDMKAL-UHFFFAOYSA-N
XLogP4.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.15
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenoxy)-1-(3-fluoro-4-methoxyphenyl)ethanone?
The IUPAC name of 2-(3-bromo-5-fluorophenoxy)-1-(3-fluoro-4-methoxyphenyl)ethanone (CID 81315368) is 2-(3-bromo-5-fluorophenoxy)-1-(3-fluoro-4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(3-bromo-5-fluorophenoxy)-1-(3-fluoro-4-methoxyphenyl)ethanone?
The canonical SMILES for 2-(3-bromo-5-fluorophenoxy)-1-(3-fluoro-4-methoxyphenyl)ethanone is COc1ccc(C(=O)COc2cc(F)cc(Br)c2)cc1F.
What is the InChIKey of 2-(3-bromo-5-fluorophenoxy)-1-(3-fluoro-4-methoxyphenyl)ethanone?
The InChIKey is JUMVACNYVDMKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF2O3/c1-20-15-3-2-9(4-13(15)18)14(19)8-21-12-6-10(16)5-11(17)7-12/h2-7H,8H2,1H3.
What are the key properties of 2-(3-bromo-5-fluorophenoxy)-1-(3-fluoro-4-methoxyphenyl)ethanone?
2-(3-bromo-5-fluorophenoxy)-1-(3-fluoro-4-methoxyphenyl)ethanone has a molecular weight of 357.15 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenoxy)-1-(3-fluoro-4-methoxyphenyl)ethanone is sourced from PubChem (CID 81315368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).