2-(methylsulfinylmethyl)-2-(trifluoromethyl)oxirane

C5H7F3O2S — CID 102119011

IUPAC2-(methylsulfinylmethyl)-2-(trifluoromethyl)oxirane
SMILESCS(=O)CC1(C(F)(F)F)CO1
InChIInChI=1S/C5H7F3O2S/c1-11(9)3-4(2-10-4)5(6,7)8/h2-3H2,1H3
InChIKeyJOZKYFXQOLLFSV-UHFFFAOYSA-N
MW188.17 g/mol
LogP0.70
Rot. Bonds2

About 2-(methylsulfinylmethyl)-2-(trifluoromethyl)oxirane

2-(methylsulfinylmethyl)-2-(trifluoromethyl)oxirane (PubChem CID 102119011) has the molecular formula C5H7F3O2S and a molecular weight of 188.17 g/mol. Its IUPAC name is 2-(methylsulfinylmethyl)-2-(trifluoromethyl)oxirane.

Molecular Properties

Compound Name2-(methylsulfinylmethyl)-2-(trifluoromethyl)oxirane
PubChem CID102119011
Molecular FormulaC5H7F3O2S
Molecular Weight188.17 g/mol
Exact Mass188.01
IUPAC Name2-(methylsulfinylmethyl)-2-(trifluoromethyl)oxirane
SMILESCS(=O)CC1(C(F)(F)F)CO1
InChIInChI=1S/C5H7F3O2S/c1-11(9)3-4(2-10-4)5(6,7)8/h2-3H2,1H3
InChIKeyJOZKYFXQOLLFSV-UHFFFAOYSA-N
XLogP0.70
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.17
LogP ≤ 50.70
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-(methylsulfinylmethyl)-2-(trifluoromethyl)oxirane?
The IUPAC name of 2-(methylsulfinylmethyl)-2-(trifluoromethyl)oxirane (CID 102119011) is 2-(methylsulfinylmethyl)-2-(trifluoromethyl)oxirane.
What is the SMILES notation for 2-(methylsulfinylmethyl)-2-(trifluoromethyl)oxirane?
The canonical SMILES for 2-(methylsulfinylmethyl)-2-(trifluoromethyl)oxirane is CS(=O)CC1(C(F)(F)F)CO1.
What is the InChIKey of 2-(methylsulfinylmethyl)-2-(trifluoromethyl)oxirane?
The InChIKey is JOZKYFXQOLLFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3O2S/c1-11(9)3-4(2-10-4)5(6,7)8/h2-3H2,1H3.
What are the key properties of 2-(methylsulfinylmethyl)-2-(trifluoromethyl)oxirane?
2-(methylsulfinylmethyl)-2-(trifluoromethyl)oxirane has a molecular weight of 188.17 g/mol, XLogP of 0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfinylmethyl)-2-(trifluoromethyl)oxirane is sourced from PubChem (CID 102119011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).