1-(4-fluorophenyl)-2-(2-methoxyethylsulfanyl)ethanone

C11H13FO2S — CID 43801623

IUPAC1-(4-fluorophenyl)-2-(2-methoxyethylsulfanyl)ethanone
SMILESCOCCSCC(=O)c1ccc(F)cc1
InChIInChI=1S/C11H13FO2S/c1-14-6-7-15-8-11(13)9-2-4-10(12)5-3-9/h2-5H,6-8H2,1H3
InChIKeyFEZYHWOBVCDHAS-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.39
Rot. Bonds6

About 1-(4-fluorophenyl)-2-(2-methoxyethylsulfanyl)ethanone

1-(4-fluorophenyl)-2-(2-methoxyethylsulfanyl)ethanone (PubChem CID 43801623) has the molecular formula C11H13FO2S and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(2-methoxyethylsulfanyl)ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(2-methoxyethylsulfanyl)ethanone
PubChem CID43801623
Molecular FormulaC11H13FO2S
Molecular Weight228.29 g/mol
Exact Mass228.06
IUPAC Name1-(4-fluorophenyl)-2-(2-methoxyethylsulfanyl)ethanone
SMILESCOCCSCC(=O)c1ccc(F)cc1
InChIInChI=1S/C11H13FO2S/c1-14-6-7-15-8-11(13)9-2-4-10(12)5-3-9/h2-5H,6-8H2,1H3
InChIKeyFEZYHWOBVCDHAS-UHFFFAOYSA-N
XLogP2.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-methoxypropylsulfanyl)-1-(4-methylphenyl)ethanone
CID 63857930
1-(4-fluorophenyl)-2-[(2S,3R)-4-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-2,3-dihydroxybutyl]sulfanylethanone
CID 42590953
1-(4-fluorophenyl)-2-hydroxysulfanylethanone
CID 142999162
2-methoxyethyl 4-(4-fluorophenyl)-4-oxobutanoate
CID 78830805
S-[2-(4-fluorophenyl)-2-oxoethyl] ethanethioate
CID 10584638
1-[4-(4-fluorophenyl)phenyl]-2-methoxyethanone
CID 146011430
1-(2,3-dihydro-1H-inden-5-yl)-2-(3-methoxypropylsulfanyl)ethanone
CID 55261503
2-dimethoxyphosphoryl-1-(4-fluorophenyl)ethanone
CID 11149268
1-(4-fluorophenyl)-4-[2-methoxyethyl(methyl)amino]butan-1-one
CID 61427319
1-(4-fluorophenyl)-2-(3-methoxypropoxy)propan-1-one
CID 54936830
methyl 4-[[2-(2-methoxyethylsulfanyl)acetyl]amino]benzoate
CID 43423614
1-(4-fluorophenyl)-3-[2-methoxyethyl(propan-2-yl)amino]propan-1-one
CID 82952009

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(2-methoxyethylsulfanyl)ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-(2-methoxyethylsulfanyl)ethanone (CID 43801623) is 1-(4-fluorophenyl)-2-(2-methoxyethylsulfanyl)ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(2-methoxyethylsulfanyl)ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-(2-methoxyethylsulfanyl)ethanone is COCCSCC(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(2-methoxyethylsulfanyl)ethanone?
The InChIKey is FEZYHWOBVCDHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO2S/c1-14-6-7-15-8-11(13)9-2-4-10(12)5-3-9/h2-5H,6-8H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-(2-methoxyethylsulfanyl)ethanone?
1-(4-fluorophenyl)-2-(2-methoxyethylsulfanyl)ethanone has a molecular weight of 228.29 g/mol, XLogP of 2.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(2-methoxyethylsulfanyl)ethanone is sourced from PubChem (CID 43801623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).