2-(4-bromo-2-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanone

C17H16BrFO — CID 114968519

IUPAC2-(4-bromo-2-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)Cc2ccc(Br)cc2F)c(C)c1
InChIInChI=1S/C17H16BrFO/c1-10-6-11(2)17(12(3)7-10)16(20)8-13-4-5-14(18)9-15(13)19/h4-7,9H,8H2,1-3H3
InChIKeyIAZOKXXLWFLHIN-UHFFFAOYSA-N
MW335.22 g/mol
LogP4.94
Rot. Bonds3

About 2-(4-bromo-2-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanone

2-(4-bromo-2-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanone (PubChem CID 114968519) has the molecular formula C17H16BrFO and a molecular weight of 335.22 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanone
PubChem CID114968519
Molecular FormulaC17H16BrFO
Molecular Weight335.22 g/mol
Exact Mass334.04
IUPAC Name2-(4-bromo-2-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)Cc2ccc(Br)cc2F)c(C)c1
InChIInChI=1S/C17H16BrFO/c1-10-6-11(2)17(12(3)7-10)16(20)8-13-4-5-14(18)9-15(13)19/h4-7,9H,8H2,1-3H3
InChIKeyIAZOKXXLWFLHIN-UHFFFAOYSA-N
XLogP4.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.22
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromo-2-chlorophenyl)-1-(2,4,6-trimethylphenyl)ethanone
CID 115801958
2-(4-bromo-2-fluorophenyl)-1-(2-methylphenyl)ethanone
CID 55096453
2-(2-bromo-3-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanone
CID 115790101
2-(4-bromo-2-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 81274189
1,2-bis(4-bromo-2-fluorophenyl)ethanone
CID 114905955
(4-bromo-2-fluorophenyl)-(2,4,6-trimethylphenyl)methanone
CID 43337541
1-(4-bromo-2-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-one
CID 114968486
2-(4-bromo-2-fluorophenyl)-1-(3-chloro-4-methylphenyl)ethanone
CID 114968547
2-(4-bromo-2-fluorophenyl)-1-(5-methylthiophen-2-yl)ethanone
CID 114968514
2-(4-bromo-2-fluorophenyl)-1-(3-bromo-2-methylphenyl)ethanone
CID 114968520
2-(4-bromo-2-fluorophenyl)acetyl iodide
CID 90435604
2-(4-bromo-2-fluorophenyl)-N-methylacetamide
CID 71270704

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanone?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanone (CID 114968519) is 2-(4-bromo-2-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanone.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanone?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanone is Cc1cc(C)c(C(=O)Cc2ccc(Br)cc2F)c(C)c1.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanone?
The InChIKey is IAZOKXXLWFLHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFO/c1-10-6-11(2)17(12(3)7-10)16(20)8-13-4-5-14(18)9-15(13)19/h4-7,9H,8H2,1-3H3.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanone?
2-(4-bromo-2-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanone has a molecular weight of 335.22 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanone is sourced from PubChem (CID 114968519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).