(4-bromo-3,5-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanone

C16H12BrF3O — CID 114329543

IUPAC(4-bromo-3,5-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanone
SMILESCc1cc(C(=O)c2ccccc2C(F)(F)F)cc(C)c1Br
InChIInChI=1S/C16H12BrF3O/c1-9-7-11(8-10(2)14(9)17)15(21)12-5-3-4-6-13(12)16(18,19)20/h3-8H,1-2H3
InChIKeyUCHCPEYIAHJUQD-UHFFFAOYSA-N
MW357.17 g/mol
LogP5.32
Rot. Bonds2

About (4-bromo-3,5-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanone

(4-bromo-3,5-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 114329543) has the molecular formula C16H12BrF3O and a molecular weight of 357.17 g/mol. Its IUPAC name is (4-bromo-3,5-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-bromo-3,5-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanone
PubChem CID114329543
Molecular FormulaC16H12BrF3O
Molecular Weight357.17 g/mol
Exact Mass356.00
IUPAC Name(4-bromo-3,5-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanone
SMILESCc1cc(C(=O)c2ccccc2C(F)(F)F)cc(C)c1Br
InChIInChI=1S/C16H12BrF3O/c1-9-7-11(8-10(2)14(9)17)15(21)12-5-3-4-6-13(12)16(18,19)20/h3-8H,1-2H3
InChIKeyUCHCPEYIAHJUQD-UHFFFAOYSA-N
XLogP5.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.17
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3,5-dibromophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 107976795
(3-methylphenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 55120964
(4-bromo-3,5-dimethylphenyl)-(2,3-dimethylphenyl)methanone
CID 114329761
(2-bromofuran-3-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 106856635
[3-[2-(trifluoromethyl)benzoyl]phenyl] acetate
CID 24722930
(3-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 62802145
(3,4-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 43344485
(2,5-dibromothiophen-3-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 43344981
(2,6-difluoro-3-methylphenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 114971268
2-bromo-N-methylacetamide;ethane;phenyl-[2-(trifluoromethyl)phenyl]methanone
CID 142099858
N-methyl-2-(trifluoromethyl)benzamide
CID 4216112
(3-ethoxyphenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 62801807

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3,5-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (4-bromo-3,5-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanone (CID 114329543) is (4-bromo-3,5-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (4-bromo-3,5-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (4-bromo-3,5-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanone is Cc1cc(C(=O)c2ccccc2C(F)(F)F)cc(C)c1Br.
What is the InChIKey of (4-bromo-3,5-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is UCHCPEYIAHJUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrF3O/c1-9-7-11(8-10(2)14(9)17)15(21)12-5-3-4-6-13(12)16(18,19)20/h3-8H,1-2H3.
What are the key properties of (4-bromo-3,5-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanone?
(4-bromo-3,5-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 357.17 g/mol, XLogP of 5.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3,5-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 114329543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).