1-(2,5-dibromo-4-methylphenyl)-2-(4-fluorophenyl)ethanone

C15H11Br2FO — CID 81473906

IUPAC1-(2,5-dibromo-4-methylphenyl)-2-(4-fluorophenyl)ethanone
SMILESCc1cc(Br)c(C(=O)Cc2ccc(F)cc2)cc1Br
InChIInChI=1S/C15H11Br2FO/c1-9-6-14(17)12(8-13(9)16)15(19)7-10-2-4-11(18)5-3-10/h2-6,8H,7H2,1H3
InChIKeyPPJPYHLFSNCFME-UHFFFAOYSA-N
MW386.06 g/mol
LogP5.08
Rot. Bonds3

About 1-(2,5-dibromo-4-methylphenyl)-2-(4-fluorophenyl)ethanone

1-(2,5-dibromo-4-methylphenyl)-2-(4-fluorophenyl)ethanone (PubChem CID 81473906) has the molecular formula C15H11Br2FO and a molecular weight of 386.06 g/mol. Its IUPAC name is 1-(2,5-dibromo-4-methylphenyl)-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(2,5-dibromo-4-methylphenyl)-2-(4-fluorophenyl)ethanone
PubChem CID81473906
Molecular FormulaC15H11Br2FO
Molecular Weight386.06 g/mol
Exact Mass383.92
IUPAC Name1-(2,5-dibromo-4-methylphenyl)-2-(4-fluorophenyl)ethanone
SMILESCc1cc(Br)c(C(=O)Cc2ccc(F)cc2)cc1Br
InChIInChI=1S/C15H11Br2FO/c1-9-6-14(17)12(8-13(9)16)15(19)7-10-2-4-11(18)5-3-10/h2-6,8H,7H2,1H3
InChIKeyPPJPYHLFSNCFME-UHFFFAOYSA-N
XLogP5.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.06
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-dibromo-4-methylphenyl)-2-(3,4-difluorophenyl)ethanone
CID 81472993
1-(2,5-dibromo-4-methylphenyl)-2-(2,3-difluorophenyl)ethanone
CID 81473471
1-(2-bromo-5-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105376889
1-(5-bromo-4-methylthiophen-2-yl)-2-(4-fluorophenyl)ethanone
CID 79989856
2-(3-bromo-4-methoxyphenyl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 81273091
1-(4-bromo-2-hydroxyphenyl)-2-(4-fluorophenyl)ethanone
CID 75481107
N-(4-bromo-3-methylphenyl)-2-(4-fluorophenyl)acetamide
CID 4798945
1-(5-fluoro-2-methylphenyl)-2-(4-iodophenyl)ethanone
CID 65477472
1-(2,4-difluorophenyl)-2-(4-methylphenyl)ethanone
CID 43337683
1-(3-bromo-4-fluorophenyl)-2-(4-fluorophenyl)ethanone
CID 79737324
1-(2-bromofuran-3-yl)-2-(4-fluorophenyl)ethanone
CID 106854606
1-(2,5-dibromo-4-methylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103309437

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromo-4-methylphenyl)-2-(4-fluorophenyl)ethanone?
The IUPAC name of 1-(2,5-dibromo-4-methylphenyl)-2-(4-fluorophenyl)ethanone (CID 81473906) is 1-(2,5-dibromo-4-methylphenyl)-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-(2,5-dibromo-4-methylphenyl)-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-(2,5-dibromo-4-methylphenyl)-2-(4-fluorophenyl)ethanone is Cc1cc(Br)c(C(=O)Cc2ccc(F)cc2)cc1Br.
What is the InChIKey of 1-(2,5-dibromo-4-methylphenyl)-2-(4-fluorophenyl)ethanone?
The InChIKey is PPJPYHLFSNCFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2FO/c1-9-6-14(17)12(8-13(9)16)15(19)7-10-2-4-11(18)5-3-10/h2-6,8H,7H2,1H3.
What are the key properties of 1-(2,5-dibromo-4-methylphenyl)-2-(4-fluorophenyl)ethanone?
1-(2,5-dibromo-4-methylphenyl)-2-(4-fluorophenyl)ethanone has a molecular weight of 386.06 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromo-4-methylphenyl)-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 81473906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).