2-(3,5-dimethylphenyl)-1-[2-(trifluoromethyl)phenyl]ethanone

C17H15F3O — CID 63409860

IUPAC2-(3,5-dimethylphenyl)-1-[2-(trifluoromethyl)phenyl]ethanone
SMILESCc1cc(C)cc(CC(=O)c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C17H15F3O/c1-11-7-12(2)9-13(8-11)10-16(21)14-5-3-4-6-15(14)17(18,19)20/h3-9H,10H2,1-2H3
InChIKeyAZZNTYYHUCHHEV-UHFFFAOYSA-N
MW292.30 g/mol
LogP4.75
Rot. Bonds3

About 2-(3,5-dimethylphenyl)-1-[2-(trifluoromethyl)phenyl]ethanone

2-(3,5-dimethylphenyl)-1-[2-(trifluoromethyl)phenyl]ethanone (PubChem CID 63409860) has the molecular formula C17H15F3O and a molecular weight of 292.30 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-1-[2-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-1-[2-(trifluoromethyl)phenyl]ethanone
PubChem CID63409860
Molecular FormulaC17H15F3O
Molecular Weight292.30 g/mol
Exact Mass292.11
IUPAC Name2-(3,5-dimethylphenyl)-1-[2-(trifluoromethyl)phenyl]ethanone
SMILESCc1cc(C)cc(CC(=O)c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C17H15F3O/c1-11-7-12(2)9-13(8-11)10-16(21)14-5-3-4-6-15(14)17(18,19)20/h3-9H,10H2,1-2H3
InChIKeyAZZNTYYHUCHHEV-UHFFFAOYSA-N
XLogP4.75
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-1-[2-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 2-(3,5-dimethylphenyl)-1-[2-(trifluoromethyl)phenyl]ethanone (CID 63409860) is 2-(3,5-dimethylphenyl)-1-[2-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-1-[2-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 2-(3,5-dimethylphenyl)-1-[2-(trifluoromethyl)phenyl]ethanone is Cc1cc(C)cc(CC(=O)c2ccccc2C(F)(F)F)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-1-[2-(trifluoromethyl)phenyl]ethanone?
The InChIKey is AZZNTYYHUCHHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3O/c1-11-7-12(2)9-13(8-11)10-16(21)14-5-3-4-6-15(14)17(18,19)20/h3-9H,10H2,1-2H3.
What are the key properties of 2-(3,5-dimethylphenyl)-1-[2-(trifluoromethyl)phenyl]ethanone?
2-(3,5-dimethylphenyl)-1-[2-(trifluoromethyl)phenyl]ethanone has a molecular weight of 292.30 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-1-[2-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 63409860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).