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

C15H11BrClFO — CID 114968547

IUPAC2-(4-bromo-2-fluorophenyl)-1-(3-chloro-4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)Cc2ccc(Br)cc2F)cc1Cl
InChIInChI=1S/C15H11BrClFO/c1-9-2-3-11(6-13(9)17)15(19)7-10-4-5-12(16)8-14(10)18/h2-6,8H,7H2,1H3
InChIKeyDNBDITOVOXLLDY-UHFFFAOYSA-N
MW341.61 g/mol
LogP4.98
Rot. Bonds3

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

2-(4-bromo-2-fluorophenyl)-1-(3-chloro-4-methylphenyl)ethanone (PubChem CID 114968547) has the molecular formula C15H11BrClFO and a molecular weight of 341.61 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-1-(3-chloro-4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-1-(3-chloro-4-methylphenyl)ethanone
PubChem CID114968547
Molecular FormulaC15H11BrClFO
Molecular Weight341.61 g/mol
Exact Mass339.97
IUPAC Name2-(4-bromo-2-fluorophenyl)-1-(3-chloro-4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)Cc2ccc(Br)cc2F)cc1Cl
InChIInChI=1S/C15H11BrClFO/c1-9-2-3-11(6-13(9)17)15(19)7-10-4-5-12(16)8-14(10)18/h2-6,8H,7H2,1H3
InChIKeyDNBDITOVOXLLDY-UHFFFAOYSA-N
XLogP4.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.61
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromo-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanone
CID 107996296
2-(2-bromo-3-fluorophenyl)-1-(3-chloro-4-methylphenyl)ethanone
CID 115790146
2-(4-bromo-2-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 81274189
1-(3-chloro-4-methylphenyl)-2-(4-fluorophenyl)ethanone
CID 63194906
2-(4-bromo-2-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanone
CID 114968519
1-(3-chloro-4-methylphenyl)-2-(2-chlorophenyl)ethanone
CID 63528027
2-(4-bromo-2-fluorophenyl)-1-(2-methylphenyl)ethanone
CID 55096453
1-(3-bromo-4-fluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanone
CID 114854275
2-(4-bromo-2-fluorophenyl)-1-(2-chloro-4-fluorophenyl)ethanone
CID 63410449
2-(4-bromo-2-fluorophenyl)-1-(4-chloro-2-fluorophenyl)ethanone
CID 63081571
2-(4-bromophenyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 60797592
1,2-bis(4-bromo-2-fluorophenyl)ethanone
CID 114905955

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(3-chloro-4-methylphenyl)ethanone?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(3-chloro-4-methylphenyl)ethanone (CID 114968547) is 2-(4-bromo-2-fluorophenyl)-1-(3-chloro-4-methylphenyl)ethanone.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-1-(3-chloro-4-methylphenyl)ethanone?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-1-(3-chloro-4-methylphenyl)ethanone is Cc1ccc(C(=O)Cc2ccc(Br)cc2F)cc1Cl.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-1-(3-chloro-4-methylphenyl)ethanone?
The InChIKey is DNBDITOVOXLLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClFO/c1-9-2-3-11(6-13(9)17)15(19)7-10-4-5-12(16)8-14(10)18/h2-6,8H,7H2,1H3.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-1-(3-chloro-4-methylphenyl)ethanone?
2-(4-bromo-2-fluorophenyl)-1-(3-chloro-4-methylphenyl)ethanone has a molecular weight of 341.61 g/mol, XLogP of 4.98, 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-chloro-4-methylphenyl)ethanone is sourced from PubChem (CID 114968547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).