[(3R,4S,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)thiolan-2-yl] acetate

C9H15FO4S — CID 118336410

IUPAC[(3R,4S,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)thiolan-2-yl] acetate
SMILESCOC[C@H]1SC(OC(C)=O)[C@H](F)[C@@H]1OC
InChIInChI=1S/C9H15FO4S/c1-5(11)14-9-7(10)8(13-3)6(15-9)4-12-2/h6-9H,4H2,1-3H3/t6-,7-,8-,9?/m1/s1
InChIKeyICNVYSPOOYGRBX-BYBOBHAWSA-N
MW238.28 g/mol
LogP0.99
Rot. Bonds4

About [(3R,4S,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)thiolan-2-yl] acetate

[(3R,4S,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)thiolan-2-yl] acetate (PubChem CID 118336410) has the molecular formula C9H15FO4S and a molecular weight of 238.28 g/mol. Its IUPAC name is [(3R,4S,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)thiolan-2-yl] acetate.

Molecular Properties

Compound Name[(3R,4S,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)thiolan-2-yl] acetate
PubChem CID118336410
Molecular FormulaC9H15FO4S
Molecular Weight238.28 g/mol
Exact Mass238.07
IUPAC Name[(3R,4S,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)thiolan-2-yl] acetate
SMILESCOC[C@H]1SC(OC(C)=O)[C@H](F)[C@@H]1OC
InChIInChI=1S/C9H15FO4S/c1-5(11)14-9-7(10)8(13-3)6(15-9)4-12-2/h6-9H,4H2,1-3H3/t6-,7-,8-,9?/m1/s1
InChIKeyICNVYSPOOYGRBX-BYBOBHAWSA-N
XLogP0.99
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3R,4S,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)thiolan-2-yl] acetate?
The IUPAC name of [(3R,4S,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)thiolan-2-yl] acetate (CID 118336410) is [(3R,4S,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)thiolan-2-yl] acetate.
What is the SMILES notation for [(3R,4S,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)thiolan-2-yl] acetate?
The canonical SMILES for [(3R,4S,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)thiolan-2-yl] acetate is COC[C@H]1SC(OC(C)=O)[C@H](F)[C@@H]1OC.
What is the InChIKey of [(3R,4S,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)thiolan-2-yl] acetate?
The InChIKey is ICNVYSPOOYGRBX-BYBOBHAWSA-N. The full InChI is InChI=1S/C9H15FO4S/c1-5(11)14-9-7(10)8(13-3)6(15-9)4-12-2/h6-9H,4H2,1-3H3/t6-,7-,8-,9?/m1/s1.
What are the key properties of [(3R,4S,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)thiolan-2-yl] acetate?
[(3R,4S,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)thiolan-2-yl] acetate has a molecular weight of 238.28 g/mol, XLogP of 0.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)thiolan-2-yl] acetate is sourced from PubChem (CID 118336410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).