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

C16H13F3O — CID 11346471

IUPAC1-[4-methyl-2-[4-(trifluoromethyl)phenyl]phenyl]ethanone
SMILESCC(=O)c1ccc(C)cc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H13F3O/c1-10-3-8-14(11(2)20)15(9-10)12-4-6-13(7-5-12)16(17,18)19/h3-9H,1-2H3
InChIKeyQWMZTPCUNGTHBV-UHFFFAOYSA-N
MW278.27 g/mol
LogP4.88
Rot. Bonds2

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

1-[4-methyl-2-[4-(trifluoromethyl)phenyl]phenyl]ethanone (PubChem CID 11346471) has the molecular formula C16H13F3O and a molecular weight of 278.27 g/mol. Its IUPAC name is 1-[4-methyl-2-[4-(trifluoromethyl)phenyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-methyl-2-[4-(trifluoromethyl)phenyl]phenyl]ethanone
PubChem CID11346471
Molecular FormulaC16H13F3O
Molecular Weight278.27 g/mol
Exact Mass278.09
IUPAC Name1-[4-methyl-2-[4-(trifluoromethyl)phenyl]phenyl]ethanone
SMILESCC(=O)c1ccc(C)cc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H13F3O/c1-10-3-8-14(11(2)20)15(9-10)12-4-6-13(7-5-12)16(17,18)19/h3-9H,1-2H3
InChIKeyQWMZTPCUNGTHBV-UHFFFAOYSA-N
XLogP4.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Benzophenone
CID 3102
Anthraquinone
CID 6780
9,10-Phenanthrenedione
CID 6763
Anthrone
CID 7018
Tonalide
CID 89440
2-Acetylnaphthalene
CID 7122
Miltirone
CID 160142
p-METHYLACETOPHENONE
CID 8500
2-Methylanthraquinone
CID 6773
2,4-Dimethylacetophenone
CID 6985
2-Methylacetophenone
CID 11340
2-Ethylanthraquinone
CID 6772

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-[4-(trifluoromethyl)phenyl]phenyl]ethanone?
The IUPAC name of 1-[4-methyl-2-[4-(trifluoromethyl)phenyl]phenyl]ethanone (CID 11346471) is 1-[4-methyl-2-[4-(trifluoromethyl)phenyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-methyl-2-[4-(trifluoromethyl)phenyl]phenyl]ethanone?
The canonical SMILES for 1-[4-methyl-2-[4-(trifluoromethyl)phenyl]phenyl]ethanone is CC(=O)c1ccc(C)cc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[4-methyl-2-[4-(trifluoromethyl)phenyl]phenyl]ethanone?
The InChIKey is QWMZTPCUNGTHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3O/c1-10-3-8-14(11(2)20)15(9-10)12-4-6-13(7-5-12)16(17,18)19/h3-9H,1-2H3.
What are the key properties of 1-[4-methyl-2-[4-(trifluoromethyl)phenyl]phenyl]ethanone?
1-[4-methyl-2-[4-(trifluoromethyl)phenyl]phenyl]ethanone has a molecular weight of 278.27 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-[4-(trifluoromethyl)phenyl]phenyl]ethanone is sourced from PubChem (CID 11346471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).