2-phenyl-1-[4-(trifluoromethylsulfanyl)phenyl]ethanone

C15H11F3OS — CID 146008554

IUPAC2-phenyl-1-[4-(trifluoromethylsulfanyl)phenyl]ethanone
SMILESO=C(Cc1ccccc1)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C15H11F3OS/c16-15(17,18)20-13-8-6-12(7-9-13)14(19)10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyRHJIGZNSEBIJDR-UHFFFAOYSA-N
MW296.31 g/mol
LogP4.72
Rot. Bonds4

About 2-phenyl-1-[4-(trifluoromethylsulfanyl)phenyl]ethanone

2-phenyl-1-[4-(trifluoromethylsulfanyl)phenyl]ethanone (PubChem CID 146008554) has the molecular formula C15H11F3OS and a molecular weight of 296.31 g/mol. Its IUPAC name is 2-phenyl-1-[4-(trifluoromethylsulfanyl)phenyl]ethanone.

Molecular Properties

Compound Name2-phenyl-1-[4-(trifluoromethylsulfanyl)phenyl]ethanone
PubChem CID146008554
Molecular FormulaC15H11F3OS
Molecular Weight296.31 g/mol
Exact Mass296.05
IUPAC Name2-phenyl-1-[4-(trifluoromethylsulfanyl)phenyl]ethanone
SMILESO=C(Cc1ccccc1)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C15H11F3OS/c16-15(17,18)20-13-8-6-12(7-9-13)14(19)10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyRHJIGZNSEBIJDR-UHFFFAOYSA-N
XLogP4.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-phenylethyl)-4-(trifluoromethylsulfanyl)benzamide
CID 24654315
2-[4-(4-benzoylphenyl)sulfanylphenyl]-1-phenylethanone
CID 151688596
1-(4-iodophenyl)-2-phenylethanone
CID 24723884
1,2-diphenylethanone;diphenylmethanone
CID 141067729
[2-oxo-2-[4-(trifluoromethylsulfanyl)phenyl]ethyl] acetate
CID 146008528
1-(4-ethylphenyl)-2-phenylethanone
CID 2758882
1-[4-(2-iodoethyl)phenyl]-2-phenylethanone
CID 20645066
4-phenacylbenzoyl iodide
CID 142013538
1-[4-(2-methylbutan-2-yl)phenyl]-2-phenylethanone
CID 66258775
1-[4-(4-acetylphenoxy)phenyl]-2-phenylethanone
CID 102402149
trifluoromethylsulfanylbenzene;hydrate
CID 174995188
(4-fluorophenyl)-[4-(trifluoromethylsulfanyl)phenyl]methanone
CID 3021172

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[4-(trifluoromethylsulfanyl)phenyl]ethanone?
The IUPAC name of 2-phenyl-1-[4-(trifluoromethylsulfanyl)phenyl]ethanone (CID 146008554) is 2-phenyl-1-[4-(trifluoromethylsulfanyl)phenyl]ethanone.
What is the SMILES notation for 2-phenyl-1-[4-(trifluoromethylsulfanyl)phenyl]ethanone?
The canonical SMILES for 2-phenyl-1-[4-(trifluoromethylsulfanyl)phenyl]ethanone is O=C(Cc1ccccc1)c1ccc(SC(F)(F)F)cc1.
What is the InChIKey of 2-phenyl-1-[4-(trifluoromethylsulfanyl)phenyl]ethanone?
The InChIKey is RHJIGZNSEBIJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3OS/c16-15(17,18)20-13-8-6-12(7-9-13)14(19)10-11-4-2-1-3-5-11/h1-9H,10H2.
What are the key properties of 2-phenyl-1-[4-(trifluoromethylsulfanyl)phenyl]ethanone?
2-phenyl-1-[4-(trifluoromethylsulfanyl)phenyl]ethanone has a molecular weight of 296.31 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[4-(trifluoromethylsulfanyl)phenyl]ethanone is sourced from PubChem (CID 146008554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).