(2R,3S,4S)-4-fluoro-2-(hydroxymethyl)thiolan-3-ol

C5H9FO2S — CID 11491962

IUPAC(2R,3S,4S)-4-fluoro-2-(hydroxymethyl)thiolan-3-ol
SMILESOC[C@H]1SC[C@@H](F)[C@@H]1O
InChIInChI=1S/C5H9FO2S/c6-3-2-9-4(1-7)5(3)8/h3-5,7-8H,1-2H2/t3-,4-,5+/m1/s1
InChIKeyDHLLLWXWGNQZIV-WDCZJNDASA-N
MW152.19 g/mol
LogP-0.21
Rot. Bonds1

About (2R,3S,4S)-4-fluoro-2-(hydroxymethyl)thiolan-3-ol

(2R,3S,4S)-4-fluoro-2-(hydroxymethyl)thiolan-3-ol (PubChem CID 11491962) has the molecular formula C5H9FO2S and a molecular weight of 152.19 g/mol. Its IUPAC name is (2R,3S,4S)-4-fluoro-2-(hydroxymethyl)thiolan-3-ol.

Molecular Properties

Compound Name(2R,3S,4S)-4-fluoro-2-(hydroxymethyl)thiolan-3-ol
PubChem CID11491962
Molecular FormulaC5H9FO2S
Molecular Weight152.19 g/mol
Exact Mass152.03
IUPAC Name(2R,3S,4S)-4-fluoro-2-(hydroxymethyl)thiolan-3-ol
SMILESOC[C@H]1SC[C@@H](F)[C@@H]1O
InChIInChI=1S/C5H9FO2S/c6-3-2-9-4(1-7)5(3)8/h3-5,7-8H,1-2H2/t3-,4-,5+/m1/s1
InChIKeyDHLLLWXWGNQZIV-WDCZJNDASA-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 (2R,3S,4S)-4-fluoro-2-(hydroxymethyl)thiolan-3-ol?
The IUPAC name of (2R,3S,4S)-4-fluoro-2-(hydroxymethyl)thiolan-3-ol (CID 11491962) is (2R,3S,4S)-4-fluoro-2-(hydroxymethyl)thiolan-3-ol.
What is the SMILES notation for (2R,3S,4S)-4-fluoro-2-(hydroxymethyl)thiolan-3-ol?
The canonical SMILES for (2R,3S,4S)-4-fluoro-2-(hydroxymethyl)thiolan-3-ol is OC[C@H]1SC[C@@H](F)[C@@H]1O.
What is the InChIKey of (2R,3S,4S)-4-fluoro-2-(hydroxymethyl)thiolan-3-ol?
The InChIKey is DHLLLWXWGNQZIV-WDCZJNDASA-N. The full InChI is InChI=1S/C5H9FO2S/c6-3-2-9-4(1-7)5(3)8/h3-5,7-8H,1-2H2/t3-,4-,5+/m1/s1.
What are the key properties of (2R,3S,4S)-4-fluoro-2-(hydroxymethyl)thiolan-3-ol?
(2R,3S,4S)-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 (2R,3S,4S)-4-fluoro-2-(hydroxymethyl)thiolan-3-ol is sourced from PubChem (CID 11491962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).