2-(3-methylphenyl)-1-[3-(trifluoromethyl)phenyl]ethanone

C16H13F3O — CID 60798946

IUPAC2-(3-methylphenyl)-1-[3-(trifluoromethyl)phenyl]ethanone
SMILESCc1cccc(CC(=O)c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H13F3O/c1-11-4-2-5-12(8-11)9-15(20)13-6-3-7-14(10-13)16(17,18)19/h2-8,10H,9H2,1H3
InChIKeyCAWFYALQHCRSKK-UHFFFAOYSA-N
MW278.27 g/mol
LogP4.44
Rot. Bonds3

About 2-(3-methylphenyl)-1-[3-(trifluoromethyl)phenyl]ethanone

2-(3-methylphenyl)-1-[3-(trifluoromethyl)phenyl]ethanone (PubChem CID 60798946) has the molecular formula C16H13F3O and a molecular weight of 278.27 g/mol. Its IUPAC name is 2-(3-methylphenyl)-1-[3-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-(3-methylphenyl)-1-[3-(trifluoromethyl)phenyl]ethanone
PubChem CID60798946
Molecular FormulaC16H13F3O
Molecular Weight278.27 g/mol
Exact Mass278.09
IUPAC Name2-(3-methylphenyl)-1-[3-(trifluoromethyl)phenyl]ethanone
SMILESCc1cccc(CC(=O)c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H13F3O/c1-11-4-2-5-12(8-11)9-15(20)13-6-3-7-14(10-13)16(17,18)19/h2-8,10H,9H2,1H3
InChIKeyCAWFYALQHCRSKK-UHFFFAOYSA-N
XLogP4.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-one
CID 24725694
1-(3-aminophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 116548555
(3-methylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 55026756
1-(4-ethylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 63411308
1-(2-fluoro-4-methylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 114966373
1-(3,4-difluorophenyl)-2-(3-methylphenyl)ethanone
CID 60797589
1-(3,5-dichlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 114966350
3-fluoro-3-methyl-1-(3-methylphenyl)butan-2-one
CID 130562184
3-(2-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-one
CID 24725641
2-(5-fluoro-2-methylphenyl)-1-[3-(trifluoromethyl)phenyl]ethanone
CID 105373149
2-(3-methylphenyl)-1-[4-(trifluoromethoxy)phenyl]ethanone
CID 115736451
2-(3-aminophenyl)-1-(3-methylphenyl)ethanone
CID 116577163

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-1-[3-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 2-(3-methylphenyl)-1-[3-(trifluoromethyl)phenyl]ethanone (CID 60798946) is 2-(3-methylphenyl)-1-[3-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 2-(3-methylphenyl)-1-[3-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 2-(3-methylphenyl)-1-[3-(trifluoromethyl)phenyl]ethanone is Cc1cccc(CC(=O)c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 2-(3-methylphenyl)-1-[3-(trifluoromethyl)phenyl]ethanone?
The InChIKey is CAWFYALQHCRSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3O/c1-11-4-2-5-12(8-11)9-15(20)13-6-3-7-14(10-13)16(17,18)19/h2-8,10H,9H2,1H3.
What are the key properties of 2-(3-methylphenyl)-1-[3-(trifluoromethyl)phenyl]ethanone?
2-(3-methylphenyl)-1-[3-(trifluoromethyl)phenyl]ethanone has a molecular weight of 278.27 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-1-[3-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 60798946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).