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

C11H11F3O2S — CID 146161574

IUPAC1-(4-ethoxyphenyl)-2-(trifluoromethylsulfanyl)ethanone
SMILESCCOc1ccc(C(=O)CSC(F)(F)F)cc1
InChIInChI=1S/C11H11F3O2S/c1-2-16-9-5-3-8(4-6-9)10(15)7-17-11(12,13)14/h3-6H,2,7H2,1H3
InChIKeyMGANDVMVYHCEHV-UHFFFAOYSA-N
MW264.27 g/mol
LogP3.52
Rot. Bonds5

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

1-(4-ethoxyphenyl)-2-(trifluoromethylsulfanyl)ethanone (PubChem CID 146161574) has the molecular formula C11H11F3O2S and a molecular weight of 264.27 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-2-(trifluoromethylsulfanyl)ethanone.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-2-(trifluoromethylsulfanyl)ethanone
PubChem CID146161574
Molecular FormulaC11H11F3O2S
Molecular Weight264.27 g/mol
Exact Mass264.04
IUPAC Name1-(4-ethoxyphenyl)-2-(trifluoromethylsulfanyl)ethanone
SMILESCCOc1ccc(C(=O)CSC(F)(F)F)cc1
InChIInChI=1S/C11H11F3O2S/c1-2-16-9-5-3-8(4-6-9)10(15)7-17-11(12,13)14/h3-6H,2,7H2,1H3
InChIKeyMGANDVMVYHCEHV-UHFFFAOYSA-N
XLogP3.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4'-Methoxyacetophenone
CID 7476
4-Ethoxybenzaldehyde
CID 24834
p-Acetylphenyl acetate
CID 83063
p-Ethoxyacetophenone
CID 72872
4-Propanoylanisole
CID 67144
4-Acetylphenyl ether
CID 17471
4-Propoxybenzaldehyde
CID 79812
1-[4-(Benzyloxy)phenyl]ethan-1-one
CID 245226
4-Isopropoxybenzaldehyde
CID 250077
1-[4-[(4-Fluorophenyl)methoxy]phenyl]ethanone
CID 2737276
4'-Methoxybutyrophenone
CID 77810
2,4-Butanedione, 1,1,1-trifluoro-4-(4-methoxyphenyl)-
CID 139903

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-2-(trifluoromethylsulfanyl)ethanone?
The IUPAC name of 1-(4-ethoxyphenyl)-2-(trifluoromethylsulfanyl)ethanone (CID 146161574) is 1-(4-ethoxyphenyl)-2-(trifluoromethylsulfanyl)ethanone.
What is the SMILES notation for 1-(4-ethoxyphenyl)-2-(trifluoromethylsulfanyl)ethanone?
The canonical SMILES for 1-(4-ethoxyphenyl)-2-(trifluoromethylsulfanyl)ethanone is CCOc1ccc(C(=O)CSC(F)(F)F)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-2-(trifluoromethylsulfanyl)ethanone?
The InChIKey is MGANDVMVYHCEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O2S/c1-2-16-9-5-3-8(4-6-9)10(15)7-17-11(12,13)14/h3-6H,2,7H2,1H3.
What are the key properties of 1-(4-ethoxyphenyl)-2-(trifluoromethylsulfanyl)ethanone?
1-(4-ethoxyphenyl)-2-(trifluoromethylsulfanyl)ethanone has a molecular weight of 264.27 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-2-(trifluoromethylsulfanyl)ethanone is sourced from PubChem (CID 146161574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).