2-(3-bromo-5-fluorophenyl)-1-(2-fluoro-4-methylphenyl)ethanone

C15H11BrF2O — CID 115786719

IUPAC2-(3-bromo-5-fluorophenyl)-1-(2-fluoro-4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)Cc2cc(F)cc(Br)c2)c(F)c1
InChIInChI=1S/C15H11BrF2O/c1-9-2-3-13(14(18)4-9)15(19)7-10-5-11(16)8-12(17)6-10/h2-6,8H,7H2,1H3
InChIKeyJNAXUHDXOIFPDZ-UHFFFAOYSA-N
MW325.15 g/mol
LogP4.46
Rot. Bonds3

About 2-(3-bromo-5-fluorophenyl)-1-(2-fluoro-4-methylphenyl)ethanone

2-(3-bromo-5-fluorophenyl)-1-(2-fluoro-4-methylphenyl)ethanone (PubChem CID 115786719) has the molecular formula C15H11BrF2O and a molecular weight of 325.15 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-1-(2-fluoro-4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-1-(2-fluoro-4-methylphenyl)ethanone
PubChem CID115786719
Molecular FormulaC15H11BrF2O
Molecular Weight325.15 g/mol
Exact Mass324.00
IUPAC Name2-(3-bromo-5-fluorophenyl)-1-(2-fluoro-4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)Cc2cc(F)cc(Br)c2)c(F)c1
InChIInChI=1S/C15H11BrF2O/c1-9-2-3-13(14(18)4-9)15(19)7-10-5-11(16)8-12(17)6-10/h2-6,8H,7H2,1H3
InChIKeyJNAXUHDXOIFPDZ-UHFFFAOYSA-N
XLogP4.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.15
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromo-5-fluorophenyl)-1-(4-chloro-2-fluorophenyl)ethanone
CID 79702795
2-(3-bromo-5-fluorophenyl)-1-(4-methylphenyl)ethanone
CID 79701233
2-(3-bromo-5-fluorophenyl)-1-(2-methoxyphenyl)ethanone
CID 79702150
1-(2,4-difluorophenyl)-2-(4-methylphenyl)ethanone
CID 43337683
2-(3-bromo-5-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanone
CID 115786701
1-(5-bromo-2-methylphenyl)-2-(3,5-difluorophenyl)ethanone
CID 105412124
1-(2-fluoro-4-methylphenyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 115812673
1-(3-bromo-5-fluorophenyl)-2-(4-methylphenyl)ethanone
CID 61078086
2-(3-bromo-5-fluorophenyl)-1-(2-bromo-5-methoxyphenyl)ethanone
CID 105118266
2-(3-bromo-5-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethanone
CID 107967710
2-(3,5-difluorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanone
CID 105405437
1-(2-fluoro-4-methylphenyl)-2-pyridin-3-ylethanone
CID 115799155

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(2-fluoro-4-methylphenyl)ethanone?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(2-fluoro-4-methylphenyl)ethanone (CID 115786719) is 2-(3-bromo-5-fluorophenyl)-1-(2-fluoro-4-methylphenyl)ethanone.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-1-(2-fluoro-4-methylphenyl)ethanone?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-1-(2-fluoro-4-methylphenyl)ethanone is Cc1ccc(C(=O)Cc2cc(F)cc(Br)c2)c(F)c1.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-1-(2-fluoro-4-methylphenyl)ethanone?
The InChIKey is JNAXUHDXOIFPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF2O/c1-9-2-3-13(14(18)4-9)15(19)7-10-5-11(16)8-12(17)6-10/h2-6,8H,7H2,1H3.
What are the key properties of 2-(3-bromo-5-fluorophenyl)-1-(2-fluoro-4-methylphenyl)ethanone?
2-(3-bromo-5-fluorophenyl)-1-(2-fluoro-4-methylphenyl)ethanone has a molecular weight of 325.15 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenyl)-1-(2-fluoro-4-methylphenyl)ethanone is sourced from PubChem (CID 115786719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).