[(2R,3S,5R)-3-fluoro-5-phenylsulfanyloxolan-2-yl]methanol

C11H13FO2S — CID 67645319

IUPAC[(2R,3S,5R)-3-fluoro-5-phenylsulfanyloxolan-2-yl]methanol
SMILESOC[C@H]1O[C@H](Sc2ccccc2)C[C@@H]1F
InChIInChI=1S/C11H13FO2S/c12-9-6-11(14-10(9)7-13)15-8-4-2-1-3-5-8/h1-5,9-11,13H,6-7H2/t9-,10+,11+/m0/s1
InChIKeyFIKABNAEHRGOBW-HBNTYKKESA-N
MW228.29 g/mol
LogP2.22
Rot. Bonds3

About [(2R,3S,5R)-3-fluoro-5-phenylsulfanyloxolan-2-yl]methanol

[(2R,3S,5R)-3-fluoro-5-phenylsulfanyloxolan-2-yl]methanol (PubChem CID 67645319) has the molecular formula C11H13FO2S and a molecular weight of 228.29 g/mol. Its IUPAC name is [(2R,3S,5R)-3-fluoro-5-phenylsulfanyloxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3S,5R)-3-fluoro-5-phenylsulfanyloxolan-2-yl]methanol
PubChem CID67645319
Molecular FormulaC11H13FO2S
Molecular Weight228.29 g/mol
Exact Mass228.06
IUPAC Name[(2R,3S,5R)-3-fluoro-5-phenylsulfanyloxolan-2-yl]methanol
SMILESOC[C@H]1O[C@H](Sc2ccccc2)C[C@@H]1F
InChIInChI=1S/C11H13FO2S/c12-9-6-11(14-10(9)7-13)15-8-4-2-1-3-5-8/h1-5,9-11,13H,6-7H2/t9-,10+,11+/m0/s1
InChIKeyFIKABNAEHRGOBW-HBNTYKKESA-N
XLogP2.22
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S,5R)-3-fluoro-5-phenylsulfanyloxolan-2-yl]methanol?
The IUPAC name of [(2R,3S,5R)-3-fluoro-5-phenylsulfanyloxolan-2-yl]methanol (CID 67645319) is [(2R,3S,5R)-3-fluoro-5-phenylsulfanyloxolan-2-yl]methanol.
What is the SMILES notation for [(2R,3S,5R)-3-fluoro-5-phenylsulfanyloxolan-2-yl]methanol?
The canonical SMILES for [(2R,3S,5R)-3-fluoro-5-phenylsulfanyloxolan-2-yl]methanol is OC[C@H]1O[C@H](Sc2ccccc2)C[C@@H]1F.
What is the InChIKey of [(2R,3S,5R)-3-fluoro-5-phenylsulfanyloxolan-2-yl]methanol?
The InChIKey is FIKABNAEHRGOBW-HBNTYKKESA-N. The full InChI is InChI=1S/C11H13FO2S/c12-9-6-11(14-10(9)7-13)15-8-4-2-1-3-5-8/h1-5,9-11,13H,6-7H2/t9-,10+,11+/m0/s1.
What are the key properties of [(2R,3S,5R)-3-fluoro-5-phenylsulfanyloxolan-2-yl]methanol?
[(2R,3S,5R)-3-fluoro-5-phenylsulfanyloxolan-2-yl]methanol has a molecular weight of 228.29 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,5R)-3-fluoro-5-phenylsulfanyloxolan-2-yl]methanol is sourced from PubChem (CID 67645319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).