(2S,3R,4R)-2-(fluoromethyl)oxolane-3,4-diol

C5H9FO3 — CID 126601824

IUPAC(2S,3R,4R)-2-(fluoromethyl)oxolane-3,4-diol
SMILESO[C@@H]1[C@H](O)CO[C@@H]1CF
InChIInChI=1S/C5H9FO3/c6-1-4-5(8)3(7)2-9-4/h3-5,7-8H,1-2H2/t3-,4-,5-/m1/s1
InChIKeyDZNLJAPVMVOHNU-UOWFLXDJSA-N
MW136.12 g/mol
LogP-0.92
Rot. Bonds1

About (2S,3R,4R)-2-(fluoromethyl)oxolane-3,4-diol

(2S,3R,4R)-2-(fluoromethyl)oxolane-3,4-diol (PubChem CID 126601824) has the molecular formula C5H9FO3 and a molecular weight of 136.12 g/mol. Its IUPAC name is (2S,3R,4R)-2-(fluoromethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4R)-2-(fluoromethyl)oxolane-3,4-diol
PubChem CID126601824
Molecular FormulaC5H9FO3
Molecular Weight136.12 g/mol
Exact Mass136.05
IUPAC Name(2S,3R,4R)-2-(fluoromethyl)oxolane-3,4-diol
SMILESO[C@@H]1[C@H](O)CO[C@@H]1CF
InChIInChI=1S/C5H9FO3/c6-1-4-5(8)3(7)2-9-4/h3-5,7-8H,1-2H2/t3-,4-,5-/m1/s1
InChIKeyDZNLJAPVMVOHNU-UOWFLXDJSA-N
XLogP-0.92
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 ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R)-2-(fluoromethyl)oxolane-3,4-diol?
The IUPAC name of (2S,3R,4R)-2-(fluoromethyl)oxolane-3,4-diol (CID 126601824) is (2S,3R,4R)-2-(fluoromethyl)oxolane-3,4-diol.
What is the SMILES notation for (2S,3R,4R)-2-(fluoromethyl)oxolane-3,4-diol?
The canonical SMILES for (2S,3R,4R)-2-(fluoromethyl)oxolane-3,4-diol is O[C@@H]1[C@H](O)CO[C@@H]1CF.
What is the InChIKey of (2S,3R,4R)-2-(fluoromethyl)oxolane-3,4-diol?
The InChIKey is DZNLJAPVMVOHNU-UOWFLXDJSA-N. The full InChI is InChI=1S/C5H9FO3/c6-1-4-5(8)3(7)2-9-4/h3-5,7-8H,1-2H2/t3-,4-,5-/m1/s1.
What are the key properties of (2S,3R,4R)-2-(fluoromethyl)oxolane-3,4-diol?
(2S,3R,4R)-2-(fluoromethyl)oxolane-3,4-diol has a molecular weight of 136.12 g/mol, XLogP of -0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R)-2-(fluoromethyl)oxolane-3,4-diol is sourced from PubChem (CID 126601824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).