1-(2,5-dibromo-4-methylphenyl)-2-(2,3-difluorophenyl)ethanone

C15H10Br2F2O — CID 81473471

IUPAC1-(2,5-dibromo-4-methylphenyl)-2-(2,3-difluorophenyl)ethanone
SMILESCc1cc(Br)c(C(=O)Cc2cccc(F)c2F)cc1Br
InChIInChI=1S/C15H10Br2F2O/c1-8-5-12(17)10(7-11(8)16)14(20)6-9-3-2-4-13(18)15(9)19/h2-5,7H,6H2,1H3
InChIKeyBLJLWGUDYOIMAT-UHFFFAOYSA-N
MW404.05 g/mol
LogP5.22
Rot. Bonds3

About 1-(2,5-dibromo-4-methylphenyl)-2-(2,3-difluorophenyl)ethanone

1-(2,5-dibromo-4-methylphenyl)-2-(2,3-difluorophenyl)ethanone (PubChem CID 81473471) has the molecular formula C15H10Br2F2O and a molecular weight of 404.05 g/mol. Its IUPAC name is 1-(2,5-dibromo-4-methylphenyl)-2-(2,3-difluorophenyl)ethanone.

Molecular Properties

Compound Name1-(2,5-dibromo-4-methylphenyl)-2-(2,3-difluorophenyl)ethanone
PubChem CID81473471
Molecular FormulaC15H10Br2F2O
Molecular Weight404.05 g/mol
Exact Mass401.91
IUPAC Name1-(2,5-dibromo-4-methylphenyl)-2-(2,3-difluorophenyl)ethanone
SMILESCc1cc(Br)c(C(=O)Cc2cccc(F)c2F)cc1Br
InChIInChI=1S/C15H10Br2F2O/c1-8-5-12(17)10(7-11(8)16)14(20)6-9-3-2-4-13(18)15(9)19/h2-5,7H,6H2,1H3
InChIKeyBLJLWGUDYOIMAT-UHFFFAOYSA-N
XLogP5.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.05
LogP ≤ 55.22
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-(4-fluorophenyl)ethanone
CID 81473906
2-(2,3-difluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 62622276
2-(2,3-difluorophenyl)-1-(2,6-difluorophenyl)ethanone
CID 79522311
1-(3-bromo-5-fluorophenyl)-2-(2,3-difluorophenyl)ethanone
CID 66425414
1-(5-bromo-2-methylphenyl)-2-(2-fluorophenyl)ethanone
CID 65308220
1-(2-bromo-5-iodophenyl)-2-(2-fluorophenyl)ethanone
CID 114026768
1-(2-bromo-5-fluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 115800218
2-(2,3-difluorophenyl)acetic acid;hydrochloride
CID 172702403
1-(2-bromo-5-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105376889
2-(2-bromophenyl)-1-(2,3,4-trifluorophenyl)ethanone
CID 62963763
N-(1-bromo-2-methylpropan-2-yl)-2-(2,3-difluorophenyl)acetamide
CID 114308202

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromo-4-methylphenyl)-2-(2,3-difluorophenyl)ethanone?
The IUPAC name of 1-(2,5-dibromo-4-methylphenyl)-2-(2,3-difluorophenyl)ethanone (CID 81473471) is 1-(2,5-dibromo-4-methylphenyl)-2-(2,3-difluorophenyl)ethanone.
What is the SMILES notation for 1-(2,5-dibromo-4-methylphenyl)-2-(2,3-difluorophenyl)ethanone?
The canonical SMILES for 1-(2,5-dibromo-4-methylphenyl)-2-(2,3-difluorophenyl)ethanone is Cc1cc(Br)c(C(=O)Cc2cccc(F)c2F)cc1Br.
What is the InChIKey of 1-(2,5-dibromo-4-methylphenyl)-2-(2,3-difluorophenyl)ethanone?
The InChIKey is BLJLWGUDYOIMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Br2F2O/c1-8-5-12(17)10(7-11(8)16)14(20)6-9-3-2-4-13(18)15(9)19/h2-5,7H,6H2,1H3.
What are the key properties of 1-(2,5-dibromo-4-methylphenyl)-2-(2,3-difluorophenyl)ethanone?
1-(2,5-dibromo-4-methylphenyl)-2-(2,3-difluorophenyl)ethanone has a molecular weight of 404.05 g/mol, XLogP of 5.22, 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-(2,3-difluorophenyl)ethanone is sourced from PubChem (CID 81473471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).