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

C5H9FO2S — CID 57009242

IUPAC(2S,4S,5S)-4-fluoro-5-(hydroxymethyl)thiolan-2-ol
SMILESOC[C@@H]1S[C@H](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-YUPRTTJUSA-N
MW152.19 g/mol
LogP0.14
Rot. Bonds1

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

(2S,4S,5S)-4-fluoro-5-(hydroxymethyl)thiolan-2-ol (PubChem CID 57009242) has the molecular formula C5H9FO2S and a molecular weight of 152.19 g/mol. Its IUPAC name is (2S,4S,5S)-4-fluoro-5-(hydroxymethyl)thiolan-2-ol.

Molecular Properties

Compound Name(2S,4S,5S)-4-fluoro-5-(hydroxymethyl)thiolan-2-ol
PubChem CID57009242
Molecular FormulaC5H9FO2S
Molecular Weight152.19 g/mol
Exact Mass152.03
IUPAC Name(2S,4S,5S)-4-fluoro-5-(hydroxymethyl)thiolan-2-ol
SMILESOC[C@@H]1S[C@H](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-YUPRTTJUSA-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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Related Compounds

Thiolan-2-ylmethanol
CID 22395729
(4S,5R)-5-(hydroxymethyl)thiolane-2,4-diol
CID 18655752
2-Methylthiolan-5-ol
CID 89055474
(2R,3S,4S)-4-fluoro-2-(hydroxymethyl)thiolan-3-ol
CID 11491962
4-Fluoro-2-(hydroxymethyl)-5-methoxythiolan-3-ol
CID 53646039
(4S,5R)-3-fluoro-5-(hydroxymethyl)thiolane-2,4-diol
CID 54395377
(4S,5R)-4-fluoro-5-(hydroxymethyl)thiolan-2-ol
CID 54481251
[(2R,5S)-5-fluorothiolan-2-yl]methanol
CID 57166691
(2R,3S,4S)-4-fluoro-2-(hydroxymethyl)-5-methoxythiolan-3-ol
CID 58320970
(3S,4S)-4-fluoro-2-(hydroxymethyl)thiolan-3-ol
CID 68330366
4-Fluoro-2-(hydroxymethyl)thiolan-3-ol
CID 72982800
(3S)-4-fluoro-2-(hydroxymethyl)thiolan-3-ol
CID 117681363

Frequently Asked Questions

What is the IUPAC name of (2S,4S,5S)-4-fluoro-5-(hydroxymethyl)thiolan-2-ol?
The IUPAC name of (2S,4S,5S)-4-fluoro-5-(hydroxymethyl)thiolan-2-ol (CID 57009242) is (2S,4S,5S)-4-fluoro-5-(hydroxymethyl)thiolan-2-ol.
What is the SMILES notation for (2S,4S,5S)-4-fluoro-5-(hydroxymethyl)thiolan-2-ol?
The canonical SMILES for (2S,4S,5S)-4-fluoro-5-(hydroxymethyl)thiolan-2-ol is OC[C@@H]1S[C@H](O)C[C@@H]1F.
What is the InChIKey of (2S,4S,5S)-4-fluoro-5-(hydroxymethyl)thiolan-2-ol?
The InChIKey is XPDFMQZQFLMPAE-YUPRTTJUSA-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 (2S,4S,5S)-4-fluoro-5-(hydroxymethyl)thiolan-2-ol?
(2S,4S,5S)-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 (2S,4S,5S)-4-fluoro-5-(hydroxymethyl)thiolan-2-ol is sourced from PubChem (CID 57009242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).