2-(2,2,2-trifluoro-1-methylsulfanylethyl)oxolane

C7H11F3OS — CID 130683881

IUPAC2-(2,2,2-trifluoro-1-methylsulfanylethyl)oxolane
SMILESCSC(C1CCCO1)C(F)(F)F
InChIInChI=1S/C7H11F3OS/c1-12-6(7(8,9)10)5-3-2-4-11-5/h5-6H,2-4H2,1H3
InChIKeyAOLUBKUXZLJOOC-UHFFFAOYSA-N
MW200.22 g/mol
LogP2.46
Rot. Bonds2

About 2-(2,2,2-trifluoro-1-methylsulfanylethyl)oxolane

2-(2,2,2-trifluoro-1-methylsulfanylethyl)oxolane (PubChem CID 130683881) has the molecular formula C7H11F3OS and a molecular weight of 200.22 g/mol. Its IUPAC name is 2-(2,2,2-trifluoro-1-methylsulfanylethyl)oxolane.

Molecular Properties

Compound Name2-(2,2,2-trifluoro-1-methylsulfanylethyl)oxolane
PubChem CID130683881
Molecular FormulaC7H11F3OS
Molecular Weight200.22 g/mol
Exact Mass200.05
IUPAC Name2-(2,2,2-trifluoro-1-methylsulfanylethyl)oxolane
SMILESCSC(C1CCCO1)C(F)(F)F
InChIInChI=1S/C7H11F3OS/c1-12-6(7(8,9)10)5-3-2-4-11-5/h5-6H,2-4H2,1H3
InChIKeyAOLUBKUXZLJOOC-UHFFFAOYSA-N
XLogP2.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.22
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoro-1-methylsulfanylethyl)oxolane?
The IUPAC name of 2-(2,2,2-trifluoro-1-methylsulfanylethyl)oxolane (CID 130683881) is 2-(2,2,2-trifluoro-1-methylsulfanylethyl)oxolane.
What is the SMILES notation for 2-(2,2,2-trifluoro-1-methylsulfanylethyl)oxolane?
The canonical SMILES for 2-(2,2,2-trifluoro-1-methylsulfanylethyl)oxolane is CSC(C1CCCO1)C(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoro-1-methylsulfanylethyl)oxolane?
The InChIKey is AOLUBKUXZLJOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3OS/c1-12-6(7(8,9)10)5-3-2-4-11-5/h5-6H,2-4H2,1H3.
What are the key properties of 2-(2,2,2-trifluoro-1-methylsulfanylethyl)oxolane?
2-(2,2,2-trifluoro-1-methylsulfanylethyl)oxolane has a molecular weight of 200.22 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoro-1-methylsulfanylethyl)oxolane is sourced from PubChem (CID 130683881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).