3-fluoro-3-methyl-4-methylsulfanyloxolane

C6H11FOS — CID 123177788

IUPAC3-fluoro-3-methyl-4-methylsulfanyloxolane
SMILESCSC1COCC1(C)F
InChIInChI=1S/C6H11FOS/c1-6(7)4-8-3-5(6)9-2/h5H,3-4H2,1-2H3
InChIKeyWIZJDZCQIUVCCX-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.48
Rot. Bonds1

About 3-fluoro-3-methyl-4-methylsulfanyloxolane

3-fluoro-3-methyl-4-methylsulfanyloxolane (PubChem CID 123177788) has the molecular formula C6H11FOS and a molecular weight of 150.22 g/mol. Its IUPAC name is 3-fluoro-3-methyl-4-methylsulfanyloxolane.

Molecular Properties

Compound Name3-fluoro-3-methyl-4-methylsulfanyloxolane
PubChem CID123177788
Molecular FormulaC6H11FOS
Molecular Weight150.22 g/mol
Exact Mass150.05
IUPAC Name3-fluoro-3-methyl-4-methylsulfanyloxolane
SMILESCSC1COCC1(C)F
InChIInChI=1S/C6H11FOS/c1-6(7)4-8-3-5(6)9-2/h5H,3-4H2,1-2H3
InChIKeyWIZJDZCQIUVCCX-UHFFFAOYSA-N
XLogP1.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-methyl-4-methylsulfanyloxolane?
The IUPAC name of 3-fluoro-3-methyl-4-methylsulfanyloxolane (CID 123177788) is 3-fluoro-3-methyl-4-methylsulfanyloxolane.
What is the SMILES notation for 3-fluoro-3-methyl-4-methylsulfanyloxolane?
The canonical SMILES for 3-fluoro-3-methyl-4-methylsulfanyloxolane is CSC1COCC1(C)F.
What is the InChIKey of 3-fluoro-3-methyl-4-methylsulfanyloxolane?
The InChIKey is WIZJDZCQIUVCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FOS/c1-6(7)4-8-3-5(6)9-2/h5H,3-4H2,1-2H3.
What are the key properties of 3-fluoro-3-methyl-4-methylsulfanyloxolane?
3-fluoro-3-methyl-4-methylsulfanyloxolane has a molecular weight of 150.22 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-methyl-4-methylsulfanyloxolane is sourced from PubChem (CID 123177788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).