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

C17H15F3O — CID 63411308

IUPAC1-(4-ethylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
SMILESCCc1ccc(C(=O)Cc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H15F3O/c1-2-12-6-8-14(9-7-12)16(21)11-13-4-3-5-15(10-13)17(18,19)20/h3-10H,2,11H2,1H3
InChIKeyZDALGZDIFJZEPJ-UHFFFAOYSA-N
MW292.30 g/mol
LogP4.69
Rot. Bonds4

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

1-(4-ethylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone (PubChem CID 63411308) has the molecular formula C17H15F3O and a molecular weight of 292.30 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
PubChem CID63411308
Molecular FormulaC17H15F3O
Molecular Weight292.30 g/mol
Exact Mass292.11
IUPAC Name1-(4-ethylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
SMILESCCc1ccc(C(=O)Cc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H15F3O/c1-2-12-6-8-14(9-7-12)16(21)11-13-4-3-5-15(10-13)17(18,19)20/h3-10H,2,11H2,1H3
InChIKeyZDALGZDIFJZEPJ-UHFFFAOYSA-N
XLogP4.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-ethylphenyl)-3-[3-(trifluoromethyl)phenyl]propane-1,3-dione
CID 22947144
1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 58145636
1-[4-(4-fluorophenyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 57090023
1-(4-ethylphenyl)-3-[3-(trifluoromethyl)phenyl]propane-1,3-dione;1-(4-hydroxyphenyl)-3-[3-(trifluoromethyl)phenyl]propane-1,3-dione
CID 91590027
1-(3,5-dichlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 114966350
2-(3-bromophenyl)-1-(4-ethylphenyl)ethanone
CID 60797716
2-(3-methylphenyl)-1-[3-(trifluoromethyl)phenyl]ethanone
CID 60798946
1-(3-aminophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 116548555
1-(4-ethylphenyl)-2-phenylethanone
CID 2758882
N'-(4-ethylbenzoyl)-3-(trifluoromethyl)benzohydrazide
CID 7925712
1-(4-aminophenyl)-2-(3-ethylphenyl)ethanone
CID 145137621
1-(4-amino-3-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 116581836

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-(4-ethylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone (CID 63411308) is 1-(4-ethylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-(4-ethylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-(4-ethylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone is CCc1ccc(C(=O)Cc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone?
The InChIKey is ZDALGZDIFJZEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3O/c1-2-12-6-8-14(9-7-12)16(21)11-13-4-3-5-15(10-13)17(18,19)20/h3-10H,2,11H2,1H3.
What are the key properties of 1-(4-ethylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone?
1-(4-ethylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone has a molecular weight of 292.30 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 63411308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).