1-(3-bromo-5-fluorophenyl)-2-(2,5-dimethylphenyl)ethanone

C16H14BrFO — CID 63526829

IUPAC1-(3-bromo-5-fluorophenyl)-2-(2,5-dimethylphenyl)ethanone
SMILESCc1ccc(C)c(CC(=O)c2cc(F)cc(Br)c2)c1
InChIInChI=1S/C16H14BrFO/c1-10-3-4-11(2)12(5-10)8-16(19)13-6-14(17)9-15(18)7-13/h3-7,9H,8H2,1-2H3
InChIKeyWADATURGTTVLBA-UHFFFAOYSA-N
MW321.19 g/mol
LogP4.63
Rot. Bonds3

About 1-(3-bromo-5-fluorophenyl)-2-(2,5-dimethylphenyl)ethanone

1-(3-bromo-5-fluorophenyl)-2-(2,5-dimethylphenyl)ethanone (PubChem CID 63526829) has the molecular formula C16H14BrFO and a molecular weight of 321.19 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)-2-(2,5-dimethylphenyl)ethanone.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)-2-(2,5-dimethylphenyl)ethanone
PubChem CID63526829
Molecular FormulaC16H14BrFO
Molecular Weight321.19 g/mol
Exact Mass320.02
IUPAC Name1-(3-bromo-5-fluorophenyl)-2-(2,5-dimethylphenyl)ethanone
SMILESCc1ccc(C)c(CC(=O)c2cc(F)cc(Br)c2)c1
InChIInChI=1S/C16H14BrFO/c1-10-3-4-11(2)12(5-10)8-16(19)13-6-14(17)9-15(18)7-13/h3-7,9H,8H2,1-2H3
InChIKeyWADATURGTTVLBA-UHFFFAOYSA-N
XLogP4.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.19
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-5-fluorophenyl)-2-(4-methylphenyl)ethanone
CID 61078086
2-(2,5-dimethylphenyl)-1-(4-fluorophenyl)ethanone
CID 54958156
2-(2,5-dimethylphenyl)-1-(4-fluoro-2,6-dimethylphenyl)ethanone
CID 106876875
1-(3-bromo-5-fluorophenyl)-2-(5-bromo-2-fluorophenyl)ethanone
CID 66423629
1-(4-bromophenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105373145
2-(2,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone
CID 55186589
1-(2-bromo-4-fluorophenyl)-2-(2,5-dimethylphenyl)ethanone
CID 63527175
2-(3-bromo-5-fluorophenyl)-1-(4-methylphenyl)ethanone
CID 79701233
1-(3-bromo-5-fluorophenyl)-2-(2,3-difluorophenyl)ethanone
CID 66425414
1-(3-bromo-4-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105376772
1-(3,5-difluorophenyl)-2-(4-methylphenyl)ethanone
CID 54980088
1-(4-bromo-2-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-one
CID 114968486

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenyl)-2-(2,5-dimethylphenyl)ethanone?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)-2-(2,5-dimethylphenyl)ethanone (CID 63526829) is 1-(3-bromo-5-fluorophenyl)-2-(2,5-dimethylphenyl)ethanone.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)-2-(2,5-dimethylphenyl)ethanone?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)-2-(2,5-dimethylphenyl)ethanone is Cc1ccc(C)c(CC(=O)c2cc(F)cc(Br)c2)c1.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)-2-(2,5-dimethylphenyl)ethanone?
The InChIKey is WADATURGTTVLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFO/c1-10-3-4-11(2)12(5-10)8-16(19)13-6-14(17)9-15(18)7-13/h3-7,9H,8H2,1-2H3.
What are the key properties of 1-(3-bromo-5-fluorophenyl)-2-(2,5-dimethylphenyl)ethanone?
1-(3-bromo-5-fluorophenyl)-2-(2,5-dimethylphenyl)ethanone has a molecular weight of 321.19 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-fluorophenyl)-2-(2,5-dimethylphenyl)ethanone is sourced from PubChem (CID 63526829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).