1-(4-bromophenyl)-2-(5-fluoro-2-methylphenyl)ethanone

C15H12BrFO — CID 105373145

IUPAC1-(4-bromophenyl)-2-(5-fluoro-2-methylphenyl)ethanone
SMILESCc1ccc(F)cc1CC(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H12BrFO/c1-10-2-7-14(17)8-12(10)9-15(18)11-3-5-13(16)6-4-11/h2-8H,9H2,1H3
InChIKeySCPQTBUFCNKSMW-UHFFFAOYSA-N
MW307.16 g/mol
LogP4.32
Rot. Bonds3

About 1-(4-bromophenyl)-2-(5-fluoro-2-methylphenyl)ethanone

1-(4-bromophenyl)-2-(5-fluoro-2-methylphenyl)ethanone (PubChem CID 105373145) has the molecular formula C15H12BrFO and a molecular weight of 307.16 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(5-fluoro-2-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(5-fluoro-2-methylphenyl)ethanone
PubChem CID105373145
Molecular FormulaC15H12BrFO
Molecular Weight307.16 g/mol
Exact Mass306.01
IUPAC Name1-(4-bromophenyl)-2-(5-fluoro-2-methylphenyl)ethanone
SMILESCc1ccc(F)cc1CC(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H12BrFO/c1-10-2-7-14(17)8-12(10)9-15(18)11-3-5-13(16)6-4-11/h2-8H,9H2,1H3
InChIKeySCPQTBUFCNKSMW-UHFFFAOYSA-N
XLogP4.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.16
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-4-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105376772
1-(4-ethylphenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105373157
1-(4-chlorophenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105373147
2-(5-fluoro-2-methylphenyl)-1-pyridin-4-ylethanone
CID 105373154
1-(4-bromophenyl)-2-(2-chloro-5-fluorophenyl)ethanone
CID 102617586
2-(2,5-dimethylphenyl)-1-(4-fluorophenyl)ethanone
CID 54958156
1-(2-bromo-5-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105376889
1-(4-bromo-3,5-dimethylphenyl)-2-(2-bromo-5-fluorophenyl)ethanone
CID 114329547
2-(5-fluoro-2-methylphenyl)-1-thiophen-3-ylethanone
CID 105373155
1-(3-bromo-5-fluorophenyl)-2-(2,5-dimethylphenyl)ethanone
CID 63526829
2-(4-fluoro-2-methylphenyl)-1-phenylethanone
CID 114347156
2-(4-bromophenyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 60797592

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(5-fluoro-2-methylphenyl)ethanone?
The IUPAC name of 1-(4-bromophenyl)-2-(5-fluoro-2-methylphenyl)ethanone (CID 105373145) is 1-(4-bromophenyl)-2-(5-fluoro-2-methylphenyl)ethanone.
What is the SMILES notation for 1-(4-bromophenyl)-2-(5-fluoro-2-methylphenyl)ethanone?
The canonical SMILES for 1-(4-bromophenyl)-2-(5-fluoro-2-methylphenyl)ethanone is Cc1ccc(F)cc1CC(=O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-(5-fluoro-2-methylphenyl)ethanone?
The InChIKey is SCPQTBUFCNKSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFO/c1-10-2-7-14(17)8-12(10)9-15(18)11-3-5-13(16)6-4-11/h2-8H,9H2,1H3.
What are the key properties of 1-(4-bromophenyl)-2-(5-fluoro-2-methylphenyl)ethanone?
1-(4-bromophenyl)-2-(5-fluoro-2-methylphenyl)ethanone has a molecular weight of 307.16 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-(5-fluoro-2-methylphenyl)ethanone is sourced from PubChem (CID 105373145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).