[(2S,4R)-4-fluorothiolan-2-yl]methanol

C5H9FOS — CID 146516478

IUPAC[(2S,4R)-4-fluorothiolan-2-yl]methanol
SMILESOC[C@@H]1C[C@@H](F)CS1
InChIInChI=1S/C5H9FOS/c6-4-1-5(2-7)8-3-4/h4-5,7H,1-3H2/t4-,5+/m1/s1
InChIKeyAJUJVOUUMOCRHU-UHNVWZDZSA-N
MW136.19 g/mol
LogP0.82
Rot. Bonds1

About [(2S,4R)-4-fluorothiolan-2-yl]methanol

[(2S,4R)-4-fluorothiolan-2-yl]methanol (PubChem CID 146516478) has the molecular formula C5H9FOS and a molecular weight of 136.19 g/mol. Its IUPAC name is [(2S,4R)-4-fluorothiolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4R)-4-fluorothiolan-2-yl]methanol
PubChem CID146516478
Molecular FormulaC5H9FOS
Molecular Weight136.19 g/mol
Exact Mass136.04
IUPAC Name[(2S,4R)-4-fluorothiolan-2-yl]methanol
SMILESOC[C@@H]1C[C@@H](F)CS1
InChIInChI=1S/C5H9FOS/c6-4-1-5(2-7)8-3-4/h4-5,7H,1-3H2/t4-,5+/m1/s1
InChIKeyAJUJVOUUMOCRHU-UHNVWZDZSA-N
XLogP0.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-4-fluorothiolan-2-yl]methanol?
The IUPAC name of [(2S,4R)-4-fluorothiolan-2-yl]methanol (CID 146516478) is [(2S,4R)-4-fluorothiolan-2-yl]methanol.
What is the SMILES notation for [(2S,4R)-4-fluorothiolan-2-yl]methanol?
The canonical SMILES for [(2S,4R)-4-fluorothiolan-2-yl]methanol is OC[C@@H]1C[C@@H](F)CS1.
What is the InChIKey of [(2S,4R)-4-fluorothiolan-2-yl]methanol?
The InChIKey is AJUJVOUUMOCRHU-UHNVWZDZSA-N. The full InChI is InChI=1S/C5H9FOS/c6-4-1-5(2-7)8-3-4/h4-5,7H,1-3H2/t4-,5+/m1/s1.
What are the key properties of [(2S,4R)-4-fluorothiolan-2-yl]methanol?
[(2S,4R)-4-fluorothiolan-2-yl]methanol has a molecular weight of 136.19 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-4-fluorothiolan-2-yl]methanol is sourced from PubChem (CID 146516478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).