3-(5-bromo-2-fluorophenoxy)-1-(4-fluorophenyl)propan-1-one

C15H11BrF2O2 — CID 114674148

IUPAC3-(5-bromo-2-fluorophenoxy)-1-(4-fluorophenyl)propan-1-one
SMILESO=C(CCOc1cc(Br)ccc1F)c1ccc(F)cc1
InChIInChI=1S/C15H11BrF2O2/c16-11-3-6-13(18)15(9-11)20-8-7-14(19)10-1-4-12(17)5-2-10/h1-6,9H,7-8H2
InChIKeyIGGMZPDBQDOKGU-UHFFFAOYSA-N
MW341.15 g/mol
LogP4.38
Rot. Bonds5

About 3-(5-bromo-2-fluorophenoxy)-1-(4-fluorophenyl)propan-1-one

3-(5-bromo-2-fluorophenoxy)-1-(4-fluorophenyl)propan-1-one (PubChem CID 114674148) has the molecular formula C15H11BrF2O2 and a molecular weight of 341.15 g/mol. Its IUPAC name is 3-(5-bromo-2-fluorophenoxy)-1-(4-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name3-(5-bromo-2-fluorophenoxy)-1-(4-fluorophenyl)propan-1-one
PubChem CID114674148
Molecular FormulaC15H11BrF2O2
Molecular Weight341.15 g/mol
Exact Mass339.99
IUPAC Name3-(5-bromo-2-fluorophenoxy)-1-(4-fluorophenyl)propan-1-one
SMILESO=C(CCOc1cc(Br)ccc1F)c1ccc(F)cc1
InChIInChI=1S/C15H11BrF2O2/c16-11-3-6-13(18)15(9-11)20-8-7-14(19)10-1-4-12(17)5-2-10/h1-6,9H,7-8H2
InChIKeyIGGMZPDBQDOKGU-UHFFFAOYSA-N
XLogP4.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.15
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-fluoro-5-methylphenoxy)-1-(4-fluorophenyl)propan-1-one
CID 64853662
3-(2-fluorophenoxy)-1-(4-fluorophenyl)propan-1-one
CID 43793598
3-(2,5-dichlorophenoxy)-1-(4-fluorophenyl)propan-1-one
CID 62028936
2-(5-bromo-2-fluorophenoxy)-1-(4-chlorophenyl)ethanone
CID 114674085
4-bromo-1-fluoro-2-(2-fluoroethoxy)benzene
CID 86627693
2-(5-bromo-2-fluorophenoxy)-1-(4-methylphenyl)ethanone
CID 114674097
hydrazinyl 3-(5-bromo-2-fluorophenoxy)propanoate
CID 114677081
1-(4-fluorophenyl)-3-(2-methoxyphenoxy)propan-1-one
CID 43793632
2-(5-bromo-2-fluorophenoxy)-N-(4-fluorophenyl)acetamide
CID 115918565
3-(3,5-dimethylphenoxy)-1-(4-fluorophenyl)propan-1-one
CID 43793611
[2-(4-fluorophenyl)-2-oxoethyl] 5-bromo-2-fluorobenzoate
CID 55339020
1-(4-bromophenyl)-3-(4-fluorophenyl)propane-1,3-dione
CID 131954889

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-fluorophenoxy)-1-(4-fluorophenyl)propan-1-one?
The IUPAC name of 3-(5-bromo-2-fluorophenoxy)-1-(4-fluorophenyl)propan-1-one (CID 114674148) is 3-(5-bromo-2-fluorophenoxy)-1-(4-fluorophenyl)propan-1-one.
What is the SMILES notation for 3-(5-bromo-2-fluorophenoxy)-1-(4-fluorophenyl)propan-1-one?
The canonical SMILES for 3-(5-bromo-2-fluorophenoxy)-1-(4-fluorophenyl)propan-1-one is O=C(CCOc1cc(Br)ccc1F)c1ccc(F)cc1.
What is the InChIKey of 3-(5-bromo-2-fluorophenoxy)-1-(4-fluorophenyl)propan-1-one?
The InChIKey is IGGMZPDBQDOKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF2O2/c16-11-3-6-13(18)15(9-11)20-8-7-14(19)10-1-4-12(17)5-2-10/h1-6,9H,7-8H2.
What are the key properties of 3-(5-bromo-2-fluorophenoxy)-1-(4-fluorophenyl)propan-1-one?
3-(5-bromo-2-fluorophenoxy)-1-(4-fluorophenyl)propan-1-one has a molecular weight of 341.15 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-fluorophenoxy)-1-(4-fluorophenyl)propan-1-one is sourced from PubChem (CID 114674148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).