(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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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).