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

C12H10F4OS — CID 10492826

IUPAC2-[cyclopropylsulfanyl(difluoro)methyl]-2-(2,4-difluorophenyl)oxirane
SMILESFc1ccc(C2(C(F)(F)SC3CC3)CO2)c(F)c1
InChIInChI=1S/C12H10F4OS/c13-7-1-4-9(10(14)5-7)11(6-17-11)12(15,16)18-8-2-3-8/h1,4-5,8H,2-3,6H2
InChIKeyAMVWLLNIDROUST-UHFFFAOYSA-N
MW278.27 g/mol
LogP3.68
Rot. Bonds4

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

2-[cyclopropylsulfanyl(difluoro)methyl]-2-(2,4-difluorophenyl)oxirane (PubChem CID 10492826) has the molecular formula C12H10F4OS and a molecular weight of 278.27 g/mol. Its IUPAC name is 2-[cyclopropylsulfanyl(difluoro)methyl]-2-(2,4-difluorophenyl)oxirane.

Molecular Properties

Compound Name2-[cyclopropylsulfanyl(difluoro)methyl]-2-(2,4-difluorophenyl)oxirane
PubChem CID10492826
Molecular FormulaC12H10F4OS
Molecular Weight278.27 g/mol
Exact Mass278.04
IUPAC Name2-[cyclopropylsulfanyl(difluoro)methyl]-2-(2,4-difluorophenyl)oxirane
SMILESFc1ccc(C2(C(F)(F)SC3CC3)CO2)c(F)c1
InChIInChI=1S/C12H10F4OS/c13-7-1-4-9(10(14)5-7)11(6-17-11)12(15,16)18-8-2-3-8/h1,4-5,8H,2-3,6H2
InChIKeyAMVWLLNIDROUST-UHFFFAOYSA-N
XLogP3.68
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 53.68
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-[cyclopropylsulfanyl(difluoro)methyl]-2-(2,4-difluorophenyl)oxirane?
The IUPAC name of 2-[cyclopropylsulfanyl(difluoro)methyl]-2-(2,4-difluorophenyl)oxirane (CID 10492826) is 2-[cyclopropylsulfanyl(difluoro)methyl]-2-(2,4-difluorophenyl)oxirane.
What is the SMILES notation for 2-[cyclopropylsulfanyl(difluoro)methyl]-2-(2,4-difluorophenyl)oxirane?
The canonical SMILES for 2-[cyclopropylsulfanyl(difluoro)methyl]-2-(2,4-difluorophenyl)oxirane is Fc1ccc(C2(C(F)(F)SC3CC3)CO2)c(F)c1.
What is the InChIKey of 2-[cyclopropylsulfanyl(difluoro)methyl]-2-(2,4-difluorophenyl)oxirane?
The InChIKey is AMVWLLNIDROUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F4OS/c13-7-1-4-9(10(14)5-7)11(6-17-11)12(15,16)18-8-2-3-8/h1,4-5,8H,2-3,6H2.
What are the key properties of 2-[cyclopropylsulfanyl(difluoro)methyl]-2-(2,4-difluorophenyl)oxirane?
2-[cyclopropylsulfanyl(difluoro)methyl]-2-(2,4-difluorophenyl)oxirane has a molecular weight of 278.27 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylsulfanyl(difluoro)methyl]-2-(2,4-difluorophenyl)oxirane is sourced from PubChem (CID 10492826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).