(4R)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methylthiolane

C8H15FO2S — CID 58287939

IUPAC(4R)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methylthiolane
SMILESCOCC1SC(C)[C@H](F)C1OC
InChIInChI=1S/C8H15FO2S/c1-5-7(9)8(11-3)6(12-5)4-10-2/h5-8H,4H2,1-3H3/t5?,6?,7-,8?/m0/s1
InChIKeyVUPVTGFRWSPHJJ-UWWAEOQPSA-N
MW194.27 g/mol
LogP1.49
Rot. Bonds3

About (4R)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methylthiolane

(4R)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methylthiolane (PubChem CID 58287939) has the molecular formula C8H15FO2S and a molecular weight of 194.27 g/mol. Its IUPAC name is (4R)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methylthiolane.

Molecular Properties

Compound Name(4R)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methylthiolane
PubChem CID58287939
Molecular FormulaC8H15FO2S
Molecular Weight194.27 g/mol
Exact Mass194.08
IUPAC Name(4R)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methylthiolane
SMILESCOCC1SC(C)[C@H](F)C1OC
InChIInChI=1S/C8H15FO2S/c1-5-7(9)8(11-3)6(12-5)4-10-2/h5-8H,4H2,1-3H3/t5?,6?,7-,8?/m0/s1
InChIKeyVUPVTGFRWSPHJJ-UWWAEOQPSA-N
XLogP1.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methylthiolane?
The IUPAC name of (4R)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methylthiolane (CID 58287939) is (4R)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methylthiolane.
What is the SMILES notation for (4R)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methylthiolane?
The canonical SMILES for (4R)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methylthiolane is COCC1SC(C)[C@H](F)C1OC.
What is the InChIKey of (4R)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methylthiolane?
The InChIKey is VUPVTGFRWSPHJJ-UWWAEOQPSA-N. The full InChI is InChI=1S/C8H15FO2S/c1-5-7(9)8(11-3)6(12-5)4-10-2/h5-8H,4H2,1-3H3/t5?,6?,7-,8?/m0/s1.
What are the key properties of (4R)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methylthiolane?
(4R)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methylthiolane has a molecular weight of 194.27 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methylthiolane is sourced from PubChem (CID 58287939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).