2-(3-bromophenyl)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone

C16H12BrF3O — CID 102752332

IUPAC2-(3-bromophenyl)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone
SMILESCc1cc(C(F)(F)F)ccc1C(=O)Cc1cccc(Br)c1
InChIInChI=1S/C16H12BrF3O/c1-10-7-12(16(18,19)20)5-6-14(10)15(21)9-11-3-2-4-13(17)8-11/h2-8H,9H2,1H3
InChIKeyBBGZDMABLNXPSB-UHFFFAOYSA-N
MW357.17 g/mol
LogP5.20
Rot. Bonds3

About 2-(3-bromophenyl)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone

2-(3-bromophenyl)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone (PubChem CID 102752332) has the molecular formula C16H12BrF3O and a molecular weight of 357.17 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone
PubChem CID102752332
Molecular FormulaC16H12BrF3O
Molecular Weight357.17 g/mol
Exact Mass356.00
IUPAC Name2-(3-bromophenyl)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone
SMILESCc1cc(C(F)(F)F)ccc1C(=O)Cc1cccc(Br)c1
InChIInChI=1S/C16H12BrF3O/c1-10-7-12(16(18,19)20)5-6-14(10)15(21)9-11-3-2-4-13(17)8-11/h2-8H,9H2,1H3
InChIKeyBBGZDMABLNXPSB-UHFFFAOYSA-N
XLogP5.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.17
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(3-bromophenyl)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-bromo-2-methylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 114966371
1-[2-methyl-4-(trifluoromethyl)phenyl]-2-pyridin-3-ylethanone
CID 102752411
1-(5-bromo-2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 65306863
1,3-bis[2-methyl-4-(trifluoromethyl)phenyl]propane-1,3-dione
CID 57301024
1-(4-bromo-2-methylphenyl)-2-(3-methoxyphenyl)ethanone
CID 61078247
1-(2-fluoro-4-methylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 114966373
1-(5-chloro-2-methylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 114966354
4,4,4-trifluoro-1-[2-methyl-4-(trifluoromethyl)phenyl]butan-1-one
CID 102752652
2-(3-bromophenyl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 106790334
1-[2-methyl-4-(trifluoromethyl)phenyl]-2-pyridin-2-ylethanone
CID 102752303
3-chloro-1-[2-methyl-4-(trifluoromethyl)phenyl]propan-1-one
CID 175668332
1-[2-chloro-4-(trifluoromethyl)phenyl]-2-phenylethanone
CID 146009822

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 2-(3-bromophenyl)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone (CID 102752332) is 2-(3-bromophenyl)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 2-(3-bromophenyl)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 2-(3-bromophenyl)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone is Cc1cc(C(F)(F)F)ccc1C(=O)Cc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone?
The InChIKey is BBGZDMABLNXPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrF3O/c1-10-7-12(16(18,19)20)5-6-14(10)15(21)9-11-3-2-4-13(17)8-11/h2-8H,9H2,1H3.
What are the key properties of 2-(3-bromophenyl)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone?
2-(3-bromophenyl)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone has a molecular weight of 357.17 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 102752332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).