4-fluoro-2-(hydroxymethyl)thiolan-3-ol

C5H9FO2S — CID 72982800

IUPAC4-fluoro-2-(hydroxymethyl)thiolan-3-ol
SMILESOCC1SCC(F)C1O
InChIInChI=1S/C5H9FO2S/c6-3-2-9-4(1-7)5(3)8/h3-5,7-8H,1-2H2
InChIKeyDHLLLWXWGNQZIV-UHFFFAOYSA-N
MW152.19 g/mol
LogP-0.21
Rot. Bonds1

About 4-fluoro-2-(hydroxymethyl)thiolan-3-ol

4-fluoro-2-(hydroxymethyl)thiolan-3-ol (PubChem CID 72982800) has the molecular formula C5H9FO2S and a molecular weight of 152.19 g/mol. Its IUPAC name is 4-fluoro-2-(hydroxymethyl)thiolan-3-ol.

Molecular Properties

Compound Name4-fluoro-2-(hydroxymethyl)thiolan-3-ol
PubChem CID72982800
Molecular FormulaC5H9FO2S
Molecular Weight152.19 g/mol
Exact Mass152.03
IUPAC Name4-fluoro-2-(hydroxymethyl)thiolan-3-ol
SMILESOCC1SCC(F)C1O
InChIInChI=1S/C5H9FO2S/c6-3-2-9-4(1-7)5(3)8/h3-5,7-8H,1-2H2
InChIKeyDHLLLWXWGNQZIV-UHFFFAOYSA-N
XLogP-0.21
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 ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(hydroxymethyl)thiolan-3-ol?
The IUPAC name of 4-fluoro-2-(hydroxymethyl)thiolan-3-ol (CID 72982800) is 4-fluoro-2-(hydroxymethyl)thiolan-3-ol.
What is the SMILES notation for 4-fluoro-2-(hydroxymethyl)thiolan-3-ol?
The canonical SMILES for 4-fluoro-2-(hydroxymethyl)thiolan-3-ol is OCC1SCC(F)C1O.
What is the InChIKey of 4-fluoro-2-(hydroxymethyl)thiolan-3-ol?
The InChIKey is DHLLLWXWGNQZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FO2S/c6-3-2-9-4(1-7)5(3)8/h3-5,7-8H,1-2H2.
What are the key properties of 4-fluoro-2-(hydroxymethyl)thiolan-3-ol?
4-fluoro-2-(hydroxymethyl)thiolan-3-ol has a molecular weight of 152.19 g/mol, XLogP of -0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(hydroxymethyl)thiolan-3-ol is sourced from PubChem (CID 72982800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).