(2R,3R)-4,4-difluoro-2-(hydroxymethyl)oxolan-3-ol

C5H8F2O3 — CID 54357491

IUPAC(2R,3R)-4,4-difluoro-2-(hydroxymethyl)oxolan-3-ol
SMILESOC[C@H]1OCC(F)(F)[C@@H]1O
InChIInChI=1S/C5H8F2O3/c6-5(7)2-10-3(1-8)4(5)9/h3-4,8-9H,1-2H2/t3-,4-/m1/s1
InChIKeyXLFTWOXMFCMHBS-QWWZWVQMSA-N
MW154.11 g/mol
LogP-0.63
Rot. Bonds1

About (2R,3R)-4,4-difluoro-2-(hydroxymethyl)oxolan-3-ol

(2R,3R)-4,4-difluoro-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 54357491) has the molecular formula C5H8F2O3 and a molecular weight of 154.11 g/mol. Its IUPAC name is (2R,3R)-4,4-difluoro-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3R)-4,4-difluoro-2-(hydroxymethyl)oxolan-3-ol
PubChem CID54357491
Molecular FormulaC5H8F2O3
Molecular Weight154.11 g/mol
Exact Mass154.04
IUPAC Name(2R,3R)-4,4-difluoro-2-(hydroxymethyl)oxolan-3-ol
SMILESOC[C@H]1OCC(F)(F)[C@@H]1O
InChIInChI=1S/C5H8F2O3/c6-5(7)2-10-3(1-8)4(5)9/h3-4,8-9H,1-2H2/t3-,4-/m1/s1
InChIKeyXLFTWOXMFCMHBS-QWWZWVQMSA-N
XLogP-0.63
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.11
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-4,4-difluoro-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2R,3R)-4,4-difluoro-2-(hydroxymethyl)oxolan-3-ol (CID 54357491) is (2R,3R)-4,4-difluoro-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,3R)-4,4-difluoro-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,3R)-4,4-difluoro-2-(hydroxymethyl)oxolan-3-ol is OC[C@H]1OCC(F)(F)[C@@H]1O.
What is the InChIKey of (2R,3R)-4,4-difluoro-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is XLFTWOXMFCMHBS-QWWZWVQMSA-N. The full InChI is InChI=1S/C5H8F2O3/c6-5(7)2-10-3(1-8)4(5)9/h3-4,8-9H,1-2H2/t3-,4-/m1/s1.
What are the key properties of (2R,3R)-4,4-difluoro-2-(hydroxymethyl)oxolan-3-ol?
(2R,3R)-4,4-difluoro-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 154.11 g/mol, XLogP of -0.63, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-4,4-difluoro-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 54357491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).