2-(4-bromo-2-fluorophenyl)-1-(3-bromo-2-methylphenyl)ethanone

C15H11Br2FO — CID 114968520

IUPAC2-(4-bromo-2-fluorophenyl)-1-(3-bromo-2-methylphenyl)ethanone
SMILESCc1c(Br)cccc1C(=O)Cc1ccc(Br)cc1F
InChIInChI=1S/C15H11Br2FO/c1-9-12(3-2-4-13(9)17)15(19)7-10-5-6-11(16)8-14(10)18/h2-6,8H,7H2,1H3
InChIKeyDVGWCMODMTUCOA-UHFFFAOYSA-N
MW386.06 g/mol
LogP5.08
Rot. Bonds3

About 2-(4-bromo-2-fluorophenyl)-1-(3-bromo-2-methylphenyl)ethanone

2-(4-bromo-2-fluorophenyl)-1-(3-bromo-2-methylphenyl)ethanone (PubChem CID 114968520) has the molecular formula C15H11Br2FO and a molecular weight of 386.06 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-1-(3-bromo-2-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-1-(3-bromo-2-methylphenyl)ethanone
PubChem CID114968520
Molecular FormulaC15H11Br2FO
Molecular Weight386.06 g/mol
Exact Mass383.92
IUPAC Name2-(4-bromo-2-fluorophenyl)-1-(3-bromo-2-methylphenyl)ethanone
SMILESCc1c(Br)cccc1C(=O)Cc1ccc(Br)cc1F
InChIInChI=1S/C15H11Br2FO/c1-9-12(3-2-4-13(9)17)15(19)7-10-5-6-11(16)8-14(10)18/h2-6,8H,7H2,1H3
InChIKeyDVGWCMODMTUCOA-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

2-(4-bromo-2-fluorophenyl)-1-(2-methylphenyl)ethanone
CID 55096453
1,2-bis(4-bromo-2-fluorophenyl)ethanone
CID 114905955
2-(4-bromo-2-fluorophenyl)-1-(2,3-dichlorophenyl)ethanone
CID 114968448
2-(4-bromo-2-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 81274189
2-(4-bromo-2-fluorophenyl)-1-(4-chloro-2-fluorophenyl)ethanone
CID 63081571
2-(4-bromo-2-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanone
CID 114968519
1-(4-bromo-2-fluorophenyl)-3-(2-bromophenyl)propan-2-one
CID 63410152
1-(5-bromo-2-methylphenyl)-2-(2-fluorophenyl)ethanone
CID 65308220
1-(4-bromo-2-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 114905857
2-(4-bromo-2-fluorophenyl)-1-(5-methylthiophen-2-yl)ethanone
CID 114968514
2-(4-bromo-2-fluorophenyl)-1-(2-chloro-4-fluorophenyl)ethanone
CID 63410449
2-(4-bromo-2-chlorophenyl)-1-(2-chloro-3-fluorophenyl)ethanone
CID 115801799

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(3-bromo-2-methylphenyl)ethanone?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(3-bromo-2-methylphenyl)ethanone (CID 114968520) is 2-(4-bromo-2-fluorophenyl)-1-(3-bromo-2-methylphenyl)ethanone.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-1-(3-bromo-2-methylphenyl)ethanone?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-1-(3-bromo-2-methylphenyl)ethanone is Cc1c(Br)cccc1C(=O)Cc1ccc(Br)cc1F.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-1-(3-bromo-2-methylphenyl)ethanone?
The InChIKey is DVGWCMODMTUCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2FO/c1-9-12(3-2-4-13(9)17)15(19)7-10-5-6-11(16)8-14(10)18/h2-6,8H,7H2,1H3.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-1-(3-bromo-2-methylphenyl)ethanone?
2-(4-bromo-2-fluorophenyl)-1-(3-bromo-2-methylphenyl)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 2-(4-bromo-2-fluorophenyl)-1-(3-bromo-2-methylphenyl)ethanone is sourced from PubChem (CID 114968520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).