2-(difluoromethyl)-2-(methylsulfinylmethyl)oxirane

C5H8F2O2S — CID 102119012

IUPAC2-(difluoromethyl)-2-(methylsulfinylmethyl)oxirane
SMILESCS(=O)CC1(C(F)F)CO1
InChIInChI=1S/C5H8F2O2S/c1-10(8)3-5(2-9-5)4(6)7/h4H,2-3H2,1H3
InChIKeyOFQXQBUYMLEXEH-UHFFFAOYSA-N
MW170.18 g/mol
LogP0.40
Rot. Bonds3

About 2-(difluoromethyl)-2-(methylsulfinylmethyl)oxirane

2-(difluoromethyl)-2-(methylsulfinylmethyl)oxirane (PubChem CID 102119012) has the molecular formula C5H8F2O2S and a molecular weight of 170.18 g/mol. Its IUPAC name is 2-(difluoromethyl)-2-(methylsulfinylmethyl)oxirane.

Molecular Properties

Compound Name2-(difluoromethyl)-2-(methylsulfinylmethyl)oxirane
PubChem CID102119012
Molecular FormulaC5H8F2O2S
Molecular Weight170.18 g/mol
Exact Mass170.02
IUPAC Name2-(difluoromethyl)-2-(methylsulfinylmethyl)oxirane
SMILESCS(=O)CC1(C(F)F)CO1
InChIInChI=1S/C5H8F2O2S/c1-10(8)3-5(2-9-5)4(6)7/h4H,2-3H2,1H3
InChIKeyOFQXQBUYMLEXEH-UHFFFAOYSA-N
XLogP0.40
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.18
LogP ≤ 50.40
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-(difluoromethyl)-2-(methylsulfinylmethyl)oxirane?
The IUPAC name of 2-(difluoromethyl)-2-(methylsulfinylmethyl)oxirane (CID 102119012) is 2-(difluoromethyl)-2-(methylsulfinylmethyl)oxirane.
What is the SMILES notation for 2-(difluoromethyl)-2-(methylsulfinylmethyl)oxirane?
The canonical SMILES for 2-(difluoromethyl)-2-(methylsulfinylmethyl)oxirane is CS(=O)CC1(C(F)F)CO1.
What is the InChIKey of 2-(difluoromethyl)-2-(methylsulfinylmethyl)oxirane?
The InChIKey is OFQXQBUYMLEXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2O2S/c1-10(8)3-5(2-9-5)4(6)7/h4H,2-3H2,1H3.
What are the key properties of 2-(difluoromethyl)-2-(methylsulfinylmethyl)oxirane?
2-(difluoromethyl)-2-(methylsulfinylmethyl)oxirane has a molecular weight of 170.18 g/mol, XLogP of 0.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-2-(methylsulfinylmethyl)oxirane is sourced from PubChem (CID 102119012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).