2-(2,4-difluorophenyl)-2-[ethylsulfanyl(difluoro)methyl]oxirane

C11H10F4OS — CID 10825624

IUPAC2-(2,4-difluorophenyl)-2-[ethylsulfanyl(difluoro)methyl]oxirane
SMILESCCSC(F)(F)C1(c2ccc(F)cc2F)CO1
InChIInChI=1S/C11H10F4OS/c1-2-17-11(14,15)10(6-16-10)8-4-3-7(12)5-9(8)13/h3-5H,2,6H2,1H3
InChIKeyXULYTAKLRKZLHK-UHFFFAOYSA-N
MW266.26 g/mol
LogP3.54
Rot. Bonds4

About 2-(2,4-difluorophenyl)-2-[ethylsulfanyl(difluoro)methyl]oxirane

2-(2,4-difluorophenyl)-2-[ethylsulfanyl(difluoro)methyl]oxirane (PubChem CID 10825624) has the molecular formula C11H10F4OS and a molecular weight of 266.26 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-2-[ethylsulfanyl(difluoro)methyl]oxirane.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-2-[ethylsulfanyl(difluoro)methyl]oxirane
PubChem CID10825624
Molecular FormulaC11H10F4OS
Molecular Weight266.26 g/mol
Exact Mass266.04
IUPAC Name2-(2,4-difluorophenyl)-2-[ethylsulfanyl(difluoro)methyl]oxirane
SMILESCCSC(F)(F)C1(c2ccc(F)cc2F)CO1
InChIInChI=1S/C11H10F4OS/c1-2-17-11(14,15)10(6-16-10)8-4-3-7(12)5-9(8)13/h3-5H,2,6H2,1H3
InChIKeyXULYTAKLRKZLHK-UHFFFAOYSA-N
XLogP3.54
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-2-[ethylsulfanyl(difluoro)methyl]oxirane?
The IUPAC name of 2-(2,4-difluorophenyl)-2-[ethylsulfanyl(difluoro)methyl]oxirane (CID 10825624) is 2-(2,4-difluorophenyl)-2-[ethylsulfanyl(difluoro)methyl]oxirane.
What is the SMILES notation for 2-(2,4-difluorophenyl)-2-[ethylsulfanyl(difluoro)methyl]oxirane?
The canonical SMILES for 2-(2,4-difluorophenyl)-2-[ethylsulfanyl(difluoro)methyl]oxirane is CCSC(F)(F)C1(c2ccc(F)cc2F)CO1.
What is the InChIKey of 2-(2,4-difluorophenyl)-2-[ethylsulfanyl(difluoro)methyl]oxirane?
The InChIKey is XULYTAKLRKZLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F4OS/c1-2-17-11(14,15)10(6-16-10)8-4-3-7(12)5-9(8)13/h3-5H,2,6H2,1H3.
What are the key properties of 2-(2,4-difluorophenyl)-2-[ethylsulfanyl(difluoro)methyl]oxirane?
2-(2,4-difluorophenyl)-2-[ethylsulfanyl(difluoro)methyl]oxirane has a molecular weight of 266.26 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-2-[ethylsulfanyl(difluoro)methyl]oxirane is sourced from PubChem (CID 10825624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).