1-(2,4-difluorophenyl)-2-(2-hydroxyethylsulfanyl)ethanone

C10H10F2O2S — CID 10609601

IUPAC1-(2,4-difluorophenyl)-2-(2-hydroxyethylsulfanyl)ethanone
SMILESO=C(CSCCO)c1ccc(F)cc1F
InChIInChI=1S/C10H10F2O2S/c11-7-1-2-8(9(12)5-7)10(14)6-15-4-3-13/h1-2,5,13H,3-4,6H2
InChIKeyCOZBVTLYHFOVDW-UHFFFAOYSA-N
MW232.25 g/mol
LogP1.87
Rot. Bonds5

About 1-(2,4-difluorophenyl)-2-(2-hydroxyethylsulfanyl)ethanone

1-(2,4-difluorophenyl)-2-(2-hydroxyethylsulfanyl)ethanone (PubChem CID 10609601) has the molecular formula C10H10F2O2S and a molecular weight of 232.25 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-(2-hydroxyethylsulfanyl)ethanone.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-(2-hydroxyethylsulfanyl)ethanone
PubChem CID10609601
Molecular FormulaC10H10F2O2S
Molecular Weight232.25 g/mol
Exact Mass232.04
IUPAC Name1-(2,4-difluorophenyl)-2-(2-hydroxyethylsulfanyl)ethanone
SMILESO=C(CSCCO)c1ccc(F)cc1F
InChIInChI=1S/C10H10F2O2S/c11-7-1-2-8(9(12)5-7)10(14)6-15-4-3-13/h1-2,5,13H,3-4,6H2
InChIKeyCOZBVTLYHFOVDW-UHFFFAOYSA-N
XLogP1.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-(2-hydroxyethylsulfanyl)ethanone?
The IUPAC name of 1-(2,4-difluorophenyl)-2-(2-hydroxyethylsulfanyl)ethanone (CID 10609601) is 1-(2,4-difluorophenyl)-2-(2-hydroxyethylsulfanyl)ethanone.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-(2-hydroxyethylsulfanyl)ethanone?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-(2-hydroxyethylsulfanyl)ethanone is O=C(CSCCO)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-(2-hydroxyethylsulfanyl)ethanone?
The InChIKey is COZBVTLYHFOVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O2S/c11-7-1-2-8(9(12)5-7)10(14)6-15-4-3-13/h1-2,5,13H,3-4,6H2.
What are the key properties of 1-(2,4-difluorophenyl)-2-(2-hydroxyethylsulfanyl)ethanone?
1-(2,4-difluorophenyl)-2-(2-hydroxyethylsulfanyl)ethanone has a molecular weight of 232.25 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-(2-hydroxyethylsulfanyl)ethanone is sourced from PubChem (CID 10609601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).