(3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-ol

C5H9FO3 — CID 54034612

IUPAC(3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-ol
SMILESOC[C@@H]1C[C@H](F)C(O)O1
InChIInChI=1S/C5H9FO3/c6-4-1-3(2-7)9-5(4)8/h3-5,7-8H,1-2H2/t3-,4-,5?/m0/s1
InChIKeyLIACSHZWFIOXQQ-QRHDOFTISA-N
MW136.12 g/mol
LogP-0.58
Rot. Bonds1

About (3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-ol

(3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-ol (PubChem CID 54034612) has the molecular formula C5H9FO3 and a molecular weight of 136.12 g/mol. Its IUPAC name is (3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-ol.

Molecular Properties

Compound Name(3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-ol
PubChem CID54034612
Molecular FormulaC5H9FO3
Molecular Weight136.12 g/mol
Exact Mass136.05
IUPAC Name(3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-ol
SMILESOC[C@@H]1C[C@H](F)C(O)O1
InChIInChI=1S/C5H9FO3/c6-4-1-3(2-7)9-5(4)8/h3-5,7-8H,1-2H2/t3-,4-,5?/m0/s1
InChIKeyLIACSHZWFIOXQQ-QRHDOFTISA-N
XLogP-0.58
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.12
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S,4S)-4-fluoro-5-hydroxyoxolan-2-yl]methyl 2,2-dimethylpropanoate
CID 129300054
(2S,3S,5S)-3-fluoro-5-[(4-methylphenoxy)methyl]oxolan-2-ol
CID 171124936
(4S)-7-(hydroxymethyl)oxepane-2,4,5-triol
CID 163289126
6-(hydroxymethyl)oxane-2,3-diol
CID 22415851
(2S)-6-(hydroxymethyl)oxane-2,4-diol
CID 147942620
(2S,3S,5S)-3-fluoro-5-(trityloxymethyl)oxolan-2-ol
CID 14859660
CID 89009829
CID 89009829
[4-fluoro-5-[4-(trifluoromethyl)phenyl]oxolan-2-yl]methanol
CID 123937249
N-[(3R,4R,6S)-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 14865842
N-[(2R,3S,4S,6S)-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 129406201
[4-fluoro-5-[[(E)-2-fluoroprop-1-enyl]-methylamino]oxolan-2-yl]methanol;N-formylformamide
CID 169252325
(3S,4S,6S)-2-amino-6-(hydroxymethyl)oxane-3,4-diol
CID 89318035

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-ol?
The IUPAC name of (3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-ol (CID 54034612) is (3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-ol.
What is the SMILES notation for (3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-ol?
The canonical SMILES for (3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-ol is OC[C@@H]1C[C@H](F)C(O)O1.
What is the InChIKey of (3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-ol?
The InChIKey is LIACSHZWFIOXQQ-QRHDOFTISA-N. The full InChI is InChI=1S/C5H9FO3/c6-4-1-3(2-7)9-5(4)8/h3-5,7-8H,1-2H2/t3-,4-,5?/m0/s1.
What are the key properties of (3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-ol?
(3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-ol has a molecular weight of 136.12 g/mol, XLogP of -0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-ol is sourced from PubChem (CID 54034612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).