(2R)-4,4-difluoro-2-(hydroxymethyl)-5-methylideneoxolan-3-ol

C6H8F2O3 — CID 58946411

IUPAC(2R)-4,4-difluoro-2-(hydroxymethyl)-5-methylideneoxolan-3-ol
SMILESC=C1O[C@H](CO)C(O)C1(F)F
InChIInChI=1S/C6H8F2O3/c1-3-6(7,8)5(10)4(2-9)11-3/h4-5,9-10H,1-2H2/t4-,5?/m1/s1
InChIKeyQXIJYBIKJSKDJK-CNZKWPKMSA-N
MW166.12 g/mol
LogP-0.11
Rot. Bonds1

About (2R)-4,4-difluoro-2-(hydroxymethyl)-5-methylideneoxolan-3-ol

(2R)-4,4-difluoro-2-(hydroxymethyl)-5-methylideneoxolan-3-ol (PubChem CID 58946411) has the molecular formula C6H8F2O3 and a molecular weight of 166.12 g/mol. Its IUPAC name is (2R)-4,4-difluoro-2-(hydroxymethyl)-5-methylideneoxolan-3-ol.

Molecular Properties

Compound Name(2R)-4,4-difluoro-2-(hydroxymethyl)-5-methylideneoxolan-3-ol
PubChem CID58946411
Molecular FormulaC6H8F2O3
Molecular Weight166.12 g/mol
Exact Mass166.04
IUPAC Name(2R)-4,4-difluoro-2-(hydroxymethyl)-5-methylideneoxolan-3-ol
SMILESC=C1O[C@H](CO)C(O)C1(F)F
InChIInChI=1S/C6H8F2O3/c1-3-6(7,8)5(10)4(2-9)11-3/h4-5,9-10H,1-2H2/t4-,5?/m1/s1
InChIKeyQXIJYBIKJSKDJK-CNZKWPKMSA-N
XLogP-0.11
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.12
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-4,4-difluoro-2-(hydroxymethyl)-5-methylideneoxolan-3-ol?
The IUPAC name of (2R)-4,4-difluoro-2-(hydroxymethyl)-5-methylideneoxolan-3-ol (CID 58946411) is (2R)-4,4-difluoro-2-(hydroxymethyl)-5-methylideneoxolan-3-ol.
What is the SMILES notation for (2R)-4,4-difluoro-2-(hydroxymethyl)-5-methylideneoxolan-3-ol?
The canonical SMILES for (2R)-4,4-difluoro-2-(hydroxymethyl)-5-methylideneoxolan-3-ol is C=C1O[C@H](CO)C(O)C1(F)F.
What is the InChIKey of (2R)-4,4-difluoro-2-(hydroxymethyl)-5-methylideneoxolan-3-ol?
The InChIKey is QXIJYBIKJSKDJK-CNZKWPKMSA-N. The full InChI is InChI=1S/C6H8F2O3/c1-3-6(7,8)5(10)4(2-9)11-3/h4-5,9-10H,1-2H2/t4-,5?/m1/s1.
What are the key properties of (2R)-4,4-difluoro-2-(hydroxymethyl)-5-methylideneoxolan-3-ol?
(2R)-4,4-difluoro-2-(hydroxymethyl)-5-methylideneoxolan-3-ol has a molecular weight of 166.12 g/mol, XLogP of -0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4,4-difluoro-2-(hydroxymethyl)-5-methylideneoxolan-3-ol is sourced from PubChem (CID 58946411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).