(3R)-5,5-difluoro-3-(hydroxymethyl)dioxan-4-ol

C5H8F2O4 — CID 89231025

IUPAC(3R)-5,5-difluoro-3-(hydroxymethyl)dioxan-4-ol
SMILESOC[C@H]1OOCC(F)(F)C1O
InChIInChI=1S/C5H8F2O4/c6-5(7)2-10-11-3(1-8)4(5)9/h3-4,8-9H,1-2H2/t3-,4?/m1/s1
InChIKeyIQXRSDQJJCOKKP-SYPWQXSBSA-N
MW170.11 g/mol
LogP-0.69
Rot. Bonds1

About (3R)-5,5-difluoro-3-(hydroxymethyl)dioxan-4-ol

(3R)-5,5-difluoro-3-(hydroxymethyl)dioxan-4-ol (PubChem CID 89231025) has the molecular formula C5H8F2O4 and a molecular weight of 170.11 g/mol. Its IUPAC name is (3R)-5,5-difluoro-3-(hydroxymethyl)dioxan-4-ol.

Molecular Properties

Compound Name(3R)-5,5-difluoro-3-(hydroxymethyl)dioxan-4-ol
PubChem CID89231025
Molecular FormulaC5H8F2O4
Molecular Weight170.11 g/mol
Exact Mass170.04
IUPAC Name(3R)-5,5-difluoro-3-(hydroxymethyl)dioxan-4-ol
SMILESOC[C@H]1OOCC(F)(F)C1O
InChIInChI=1S/C5H8F2O4/c6-5(7)2-10-11-3(1-8)4(5)9/h3-4,8-9H,1-2H2/t3-,4?/m1/s1
InChIKeyIQXRSDQJJCOKKP-SYPWQXSBSA-N
XLogP-0.69
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.11
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-5,5-difluoro-3-(hydroxymethyl)dioxan-4-ol?
The IUPAC name of (3R)-5,5-difluoro-3-(hydroxymethyl)dioxan-4-ol (CID 89231025) is (3R)-5,5-difluoro-3-(hydroxymethyl)dioxan-4-ol.
What is the SMILES notation for (3R)-5,5-difluoro-3-(hydroxymethyl)dioxan-4-ol?
The canonical SMILES for (3R)-5,5-difluoro-3-(hydroxymethyl)dioxan-4-ol is OC[C@H]1OOCC(F)(F)C1O.
What is the InChIKey of (3R)-5,5-difluoro-3-(hydroxymethyl)dioxan-4-ol?
The InChIKey is IQXRSDQJJCOKKP-SYPWQXSBSA-N. The full InChI is InChI=1S/C5H8F2O4/c6-5(7)2-10-11-3(1-8)4(5)9/h3-4,8-9H,1-2H2/t3-,4?/m1/s1.
What are the key properties of (3R)-5,5-difluoro-3-(hydroxymethyl)dioxan-4-ol?
(3R)-5,5-difluoro-3-(hydroxymethyl)dioxan-4-ol has a molecular weight of 170.11 g/mol, XLogP of -0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5,5-difluoro-3-(hydroxymethyl)dioxan-4-ol is sourced from PubChem (CID 89231025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).