(4S,5R)-4-fluoro-5-(hydroxymethyl)thiolan-2-ol

C5H9FO2S — CID 54481251

IUPAC(4S,5R)-4-fluoro-5-(hydroxymethyl)thiolan-2-ol
SMILESOC[C@H]1SC(O)C[C@@H]1F
InChIInChI=1S/C5H9FO2S/c6-3-1-5(8)9-4(3)2-7/h3-5,7-8H,1-2H2/t3-,4+,5?/m0/s1
InChIKeyXPDFMQZQFLMPAE-PYHARJCCSA-N
MW152.19 g/mol
LogP0.14
Rot. Bonds1

About (4S,5R)-4-fluoro-5-(hydroxymethyl)thiolan-2-ol

(4S,5R)-4-fluoro-5-(hydroxymethyl)thiolan-2-ol (PubChem CID 54481251) has the molecular formula C5H9FO2S and a molecular weight of 152.19 g/mol. Its IUPAC name is (4S,5R)-4-fluoro-5-(hydroxymethyl)thiolan-2-ol.

Molecular Properties

Compound Name(4S,5R)-4-fluoro-5-(hydroxymethyl)thiolan-2-ol
PubChem CID54481251
Molecular FormulaC5H9FO2S
Molecular Weight152.19 g/mol
Exact Mass152.03
IUPAC Name(4S,5R)-4-fluoro-5-(hydroxymethyl)thiolan-2-ol
SMILESOC[C@H]1SC(O)C[C@@H]1F
InChIInChI=1S/C5H9FO2S/c6-3-1-5(8)9-4(3)2-7/h3-5,7-8H,1-2H2/t3-,4+,5?/m0/s1
InChIKeyXPDFMQZQFLMPAE-PYHARJCCSA-N
XLogP0.14
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-fluoro-5-(hydroxymethyl)thiolan-2-ol?
The IUPAC name of (4S,5R)-4-fluoro-5-(hydroxymethyl)thiolan-2-ol (CID 54481251) is (4S,5R)-4-fluoro-5-(hydroxymethyl)thiolan-2-ol.
What is the SMILES notation for (4S,5R)-4-fluoro-5-(hydroxymethyl)thiolan-2-ol?
The canonical SMILES for (4S,5R)-4-fluoro-5-(hydroxymethyl)thiolan-2-ol is OC[C@H]1SC(O)C[C@@H]1F.
What is the InChIKey of (4S,5R)-4-fluoro-5-(hydroxymethyl)thiolan-2-ol?
The InChIKey is XPDFMQZQFLMPAE-PYHARJCCSA-N. The full InChI is InChI=1S/C5H9FO2S/c6-3-1-5(8)9-4(3)2-7/h3-5,7-8H,1-2H2/t3-,4+,5?/m0/s1.
What are the key properties of (4S,5R)-4-fluoro-5-(hydroxymethyl)thiolan-2-ol?
(4S,5R)-4-fluoro-5-(hydroxymethyl)thiolan-2-ol has a molecular weight of 152.19 g/mol, XLogP of 0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-fluoro-5-(hydroxymethyl)thiolan-2-ol is sourced from PubChem (CID 54481251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).