1-(4-phenylphenyl)-2-(trifluoromethylsulfanyl)ethanone

C15H11F3OS — CID 102114584

IUPAC1-(4-phenylphenyl)-2-(trifluoromethylsulfanyl)ethanone
SMILESO=C(CSC(F)(F)F)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H11F3OS/c16-15(17,18)20-10-14(19)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyOITQJBHDACZZMU-UHFFFAOYSA-N
MW296.31 g/mol
LogP4.79
Rot. Bonds4

About 1-(4-phenylphenyl)-2-(trifluoromethylsulfanyl)ethanone

1-(4-phenylphenyl)-2-(trifluoromethylsulfanyl)ethanone (PubChem CID 102114584) has the molecular formula C15H11F3OS and a molecular weight of 296.31 g/mol. Its IUPAC name is 1-(4-phenylphenyl)-2-(trifluoromethylsulfanyl)ethanone.

Molecular Properties

Compound Name1-(4-phenylphenyl)-2-(trifluoromethylsulfanyl)ethanone
PubChem CID102114584
Molecular FormulaC15H11F3OS
Molecular Weight296.31 g/mol
Exact Mass296.05
IUPAC Name1-(4-phenylphenyl)-2-(trifluoromethylsulfanyl)ethanone
SMILESO=C(CSC(F)(F)F)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H11F3OS/c16-15(17,18)20-10-14(19)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyOITQJBHDACZZMU-UHFFFAOYSA-N
XLogP4.79
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 ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,4'-Difluorobenzophenone
CID 9582
4-Acetylbiphenyl
CID 7113
p-Phenylpropiophenone
CID 95230
2-Naphthoylmethyl thiocyanate
CID 97110
S-(Phenylmethyl) benzenecarbothioate
CID 25954
(E)-3-phenyl-1-(4-(trifluoromethyl)phenyl)prop-2-en-1-one
CID 11219604
Ethanedione, bis[4-(trifluoromethyl)phenyl]-
CID 599378
Phenacyl phenyl sulfide
CID 85338
1-(1,1'-Biphenyl)-4-yl-4,4,4-trifluoro-1,3-butanedione
CID 318182
4-(Trifluoromethyl)benzophenone
CID 69767
1-Phenyl-2-((phenylmethyl)thio)ethan-1-one
CID 75479
2-(Methylsulfanyl)-1-phenylethan-1-one
CID 220651

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylphenyl)-2-(trifluoromethylsulfanyl)ethanone?
The IUPAC name of 1-(4-phenylphenyl)-2-(trifluoromethylsulfanyl)ethanone (CID 102114584) is 1-(4-phenylphenyl)-2-(trifluoromethylsulfanyl)ethanone.
What is the SMILES notation for 1-(4-phenylphenyl)-2-(trifluoromethylsulfanyl)ethanone?
The canonical SMILES for 1-(4-phenylphenyl)-2-(trifluoromethylsulfanyl)ethanone is O=C(CSC(F)(F)F)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-(4-phenylphenyl)-2-(trifluoromethylsulfanyl)ethanone?
The InChIKey is OITQJBHDACZZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3OS/c16-15(17,18)20-10-14(19)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2.
What are the key properties of 1-(4-phenylphenyl)-2-(trifluoromethylsulfanyl)ethanone?
1-(4-phenylphenyl)-2-(trifluoromethylsulfanyl)ethanone has a molecular weight of 296.31 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylphenyl)-2-(trifluoromethylsulfanyl)ethanone is sourced from PubChem (CID 102114584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).