2-(2-bromo-3-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanone

C17H16BrFO — CID 115790101

IUPAC2-(2-bromo-3-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)Cc2cccc(F)c2Br)c(C)c1
InChIInChI=1S/C17H16BrFO/c1-10-7-11(2)16(12(3)8-10)15(20)9-13-5-4-6-14(19)17(13)18/h4-8H,9H2,1-3H3
InChIKeyGVHPCTSAEJYJCQ-UHFFFAOYSA-N
MW335.22 g/mol
LogP4.94
Rot. Bonds3

About 2-(2-bromo-3-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanone

2-(2-bromo-3-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanone (PubChem CID 115790101) has the molecular formula C17H16BrFO and a molecular weight of 335.22 g/mol. Its IUPAC name is 2-(2-bromo-3-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(2-bromo-3-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanone
PubChem CID115790101
Molecular FormulaC17H16BrFO
Molecular Weight335.22 g/mol
Exact Mass334.04
IUPAC Name2-(2-bromo-3-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)Cc2cccc(F)c2Br)c(C)c1
InChIInChI=1S/C17H16BrFO/c1-10-7-11(2)16(12(3)8-10)15(20)9-13-5-4-6-14(19)17(13)18/h4-8H,9H2,1-3H3
InChIKeyGVHPCTSAEJYJCQ-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-(2-bromo-3-fluorophenyl)-1-(2-bromo-6-fluorophenyl)ethanone
CID 114885338
2-(4-bromo-2-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanone
CID 114968519
2-(2-bromo-3-fluorophenyl)-1-(3-chloro-4-methylphenyl)ethanone
CID 115790146
2-(2-bromo-3-fluorophenyl)-1-(5-bromo-2-fluorophenyl)ethanone
CID 114894273
2-(2-bromo-3-fluorophenyl)-1-(3,5-dimethoxyphenyl)ethanone
CID 115790040
2-(2-bromo-3-fluorophenyl)-1-[3-(dimethylamino)phenyl]ethanone
CID 105121347
2-(2-chloro-6-fluorophenyl)-1-(2-fluoro-4,6-dimethylphenyl)ethanone
CID 106880766
2-(2-bromo-3-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone
CID 105121373
2-(4-bromo-2-chlorophenyl)-1-(2,4,6-trimethylphenyl)ethanone
CID 115801958
1-(2-bromo-3-fluorophenyl)-3,4-dimethylpentan-2-one
CID 115789993
2-(2-bromo-3-fluorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone
CID 105121300
2-(2-bromo-3-fluorophenyl)-1-(5-chlorothiophen-2-yl)ethanone
CID 115790097

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanone?
The IUPAC name of 2-(2-bromo-3-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanone (CID 115790101) is 2-(2-bromo-3-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanone.
What is the SMILES notation for 2-(2-bromo-3-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanone?
The canonical SMILES for 2-(2-bromo-3-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanone is Cc1cc(C)c(C(=O)Cc2cccc(F)c2Br)c(C)c1.
What is the InChIKey of 2-(2-bromo-3-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanone?
The InChIKey is GVHPCTSAEJYJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFO/c1-10-7-11(2)16(12(3)8-10)15(20)9-13-5-4-6-14(19)17(13)18/h4-8H,9H2,1-3H3.
What are the key properties of 2-(2-bromo-3-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanone?
2-(2-bromo-3-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-(2-bromo-3-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanone is sourced from PubChem (CID 115790101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).