(2R,3S,4R,5S)-4-fluoro-2-(hydroxymethyl)-5-methylthiolan-3-ol

C6H11FO2S — CID 59796297

IUPAC(2R,3S,4R,5S)-4-fluoro-2-(hydroxymethyl)-5-methylthiolan-3-ol
SMILESC[C@@H]1S[C@H](CO)[C@@H](O)[C@H]1F
InChIInChI=1S/C6H11FO2S/c1-3-5(7)6(9)4(2-8)10-3/h3-6,8-9H,2H2,1H3/t3-,4+,5-,6+/m0/s1
InChIKeyQWHQSNKXYZVOOT-BGPJRJDNSA-N
MW166.22 g/mol
LogP0.18
Rot. Bonds1

About (2R,3S,4R,5S)-4-fluoro-2-(hydroxymethyl)-5-methylthiolan-3-ol

(2R,3S,4R,5S)-4-fluoro-2-(hydroxymethyl)-5-methylthiolan-3-ol (PubChem CID 59796297) has the molecular formula C6H11FO2S and a molecular weight of 166.22 g/mol. Its IUPAC name is (2R,3S,4R,5S)-4-fluoro-2-(hydroxymethyl)-5-methylthiolan-3-ol.

Molecular Properties

Compound Name(2R,3S,4R,5S)-4-fluoro-2-(hydroxymethyl)-5-methylthiolan-3-ol
PubChem CID59796297
Molecular FormulaC6H11FO2S
Molecular Weight166.22 g/mol
Exact Mass166.05
IUPAC Name(2R,3S,4R,5S)-4-fluoro-2-(hydroxymethyl)-5-methylthiolan-3-ol
SMILESC[C@@H]1S[C@H](CO)[C@@H](O)[C@H]1F
InChIInChI=1S/C6H11FO2S/c1-3-5(7)6(9)4(2-8)10-3/h3-6,8-9H,2H2,1H3/t3-,4+,5-,6+/m0/s1
InChIKeyQWHQSNKXYZVOOT-BGPJRJDNSA-N
XLogP0.18
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R,3S,4R,5S)-4-fluoro-2-(hydroxymethyl)-5-methylthiolan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S)-4-fluoro-2-(hydroxymethyl)-5-methylthiolan-3-ol?
The IUPAC name of (2R,3S,4R,5S)-4-fluoro-2-(hydroxymethyl)-5-methylthiolan-3-ol (CID 59796297) is (2R,3S,4R,5S)-4-fluoro-2-(hydroxymethyl)-5-methylthiolan-3-ol.
What is the SMILES notation for (2R,3S,4R,5S)-4-fluoro-2-(hydroxymethyl)-5-methylthiolan-3-ol?
The canonical SMILES for (2R,3S,4R,5S)-4-fluoro-2-(hydroxymethyl)-5-methylthiolan-3-ol is C[C@@H]1S[C@H](CO)[C@@H](O)[C@H]1F.
What is the InChIKey of (2R,3S,4R,5S)-4-fluoro-2-(hydroxymethyl)-5-methylthiolan-3-ol?
The InChIKey is QWHQSNKXYZVOOT-BGPJRJDNSA-N. The full InChI is InChI=1S/C6H11FO2S/c1-3-5(7)6(9)4(2-8)10-3/h3-6,8-9H,2H2,1H3/t3-,4+,5-,6+/m0/s1.
What are the key properties of (2R,3S,4R,5S)-4-fluoro-2-(hydroxymethyl)-5-methylthiolan-3-ol?
(2R,3S,4R,5S)-4-fluoro-2-(hydroxymethyl)-5-methylthiolan-3-ol has a molecular weight of 166.22 g/mol, XLogP of 0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5S)-4-fluoro-2-(hydroxymethyl)-5-methylthiolan-3-ol is sourced from PubChem (CID 59796297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).