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

C15H11F3O2S — CID 146161575

IUPAC1-(4-phenoxyphenyl)-2-(trifluoromethylsulfanyl)ethanone
SMILESO=C(CSC(F)(F)F)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C15H11F3O2S/c16-15(17,18)21-10-14(19)11-6-8-13(9-7-11)20-12-4-2-1-3-5-12/h1-9H,10H2
InChIKeySCBFROLNAIOCMM-UHFFFAOYSA-N
MW312.31 g/mol
LogP4.91
Rot. Bonds5

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

1-(4-phenoxyphenyl)-2-(trifluoromethylsulfanyl)ethanone (PubChem CID 146161575) has the molecular formula C15H11F3O2S and a molecular weight of 312.31 g/mol. Its IUPAC name is 1-(4-phenoxyphenyl)-2-(trifluoromethylsulfanyl)ethanone.

Molecular Properties

Compound Name1-(4-phenoxyphenyl)-2-(trifluoromethylsulfanyl)ethanone
PubChem CID146161575
Molecular FormulaC15H11F3O2S
Molecular Weight312.31 g/mol
Exact Mass312.04
IUPAC Name1-(4-phenoxyphenyl)-2-(trifluoromethylsulfanyl)ethanone
SMILESO=C(CSC(F)(F)F)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C15H11F3O2S/c16-15(17,18)21-10-14(19)11-6-8-13(9-7-11)20-12-4-2-1-3-5-12/h1-9H,10H2
InChIKeySCBFROLNAIOCMM-UHFFFAOYSA-N
XLogP4.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.31
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4'-Methoxychalcone
CID 641818
4-Phenoxybenzaldehyde
CID 66139
p-Ethoxyacetophenone
CID 72872
4-Acetylphenyl ether
CID 17471
1-[4-(Benzyloxy)phenyl]ethan-1-one
CID 245226
1-[4-[(4-Fluorophenyl)methoxy]phenyl]ethanone
CID 2737276
(2E)-3-(4-fluorophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 5377457
2,4-Butanedione, 1,1,1-trifluoro-4-(4-methoxyphenyl)-
CID 139903
4-Fluoro-4'-methoxybenzophenone
CID 67664
p-Benzyloxypropiophenone
CID 78246
2,2,2-Trifluoro-4'-methoxyacetophenone
CID 136555
1-(4-Methoxyphenyl)-3-[2-(trifluoromethyl)phenyl]-2-propen-1-one
CID 5723719

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenoxyphenyl)-2-(trifluoromethylsulfanyl)ethanone?
The IUPAC name of 1-(4-phenoxyphenyl)-2-(trifluoromethylsulfanyl)ethanone (CID 146161575) is 1-(4-phenoxyphenyl)-2-(trifluoromethylsulfanyl)ethanone.
What is the SMILES notation for 1-(4-phenoxyphenyl)-2-(trifluoromethylsulfanyl)ethanone?
The canonical SMILES for 1-(4-phenoxyphenyl)-2-(trifluoromethylsulfanyl)ethanone is O=C(CSC(F)(F)F)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 1-(4-phenoxyphenyl)-2-(trifluoromethylsulfanyl)ethanone?
The InChIKey is SCBFROLNAIOCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3O2S/c16-15(17,18)21-10-14(19)11-6-8-13(9-7-11)20-12-4-2-1-3-5-12/h1-9H,10H2.
What are the key properties of 1-(4-phenoxyphenyl)-2-(trifluoromethylsulfanyl)ethanone?
1-(4-phenoxyphenyl)-2-(trifluoromethylsulfanyl)ethanone has a molecular weight of 312.31 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenoxyphenyl)-2-(trifluoromethylsulfanyl)ethanone is sourced from PubChem (CID 146161575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).