(2R,4S)-3,3-difluoro-2-(hydroxymethyl)oxan-4-ol

C6H10F2O3 — CID 162599261

IUPAC(2R,4S)-3,3-difluoro-2-(hydroxymethyl)oxan-4-ol
SMILESOC[C@H]1OCC[C@H](O)C1(F)F
InChIInChI=1S/C6H10F2O3/c7-6(8)4(10)1-2-11-5(6)3-9/h4-5,9-10H,1-3H2/t4-,5+/m0/s1
InChIKeyWFTDDUBPHNERRW-CRCLSJGQSA-N
MW168.14 g/mol
LogP-0.24
Rot. Bonds1

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

(2R,4S)-3,3-difluoro-2-(hydroxymethyl)oxan-4-ol (PubChem CID 162599261) has the molecular formula C6H10F2O3 and a molecular weight of 168.14 g/mol. Its IUPAC name is (2R,4S)-3,3-difluoro-2-(hydroxymethyl)oxan-4-ol.

Molecular Properties

Compound Name(2R,4S)-3,3-difluoro-2-(hydroxymethyl)oxan-4-ol
PubChem CID162599261
Molecular FormulaC6H10F2O3
Molecular Weight168.14 g/mol
Exact Mass168.06
IUPAC Name(2R,4S)-3,3-difluoro-2-(hydroxymethyl)oxan-4-ol
SMILESOC[C@H]1OCC[C@H](O)C1(F)F
InChIInChI=1S/C6H10F2O3/c7-6(8)4(10)1-2-11-5(6)3-9/h4-5,9-10H,1-3H2/t4-,5+/m0/s1
InChIKeyWFTDDUBPHNERRW-CRCLSJGQSA-N
XLogP-0.24
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.14
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-3,3-difluoro-2-(hydroxymethyl)oxan-4-ol?
The IUPAC name of (2R,4S)-3,3-difluoro-2-(hydroxymethyl)oxan-4-ol (CID 162599261) is (2R,4S)-3,3-difluoro-2-(hydroxymethyl)oxan-4-ol.
What is the SMILES notation for (2R,4S)-3,3-difluoro-2-(hydroxymethyl)oxan-4-ol?
The canonical SMILES for (2R,4S)-3,3-difluoro-2-(hydroxymethyl)oxan-4-ol is OC[C@H]1OCC[C@H](O)C1(F)F.
What is the InChIKey of (2R,4S)-3,3-difluoro-2-(hydroxymethyl)oxan-4-ol?
The InChIKey is WFTDDUBPHNERRW-CRCLSJGQSA-N. The full InChI is InChI=1S/C6H10F2O3/c7-6(8)4(10)1-2-11-5(6)3-9/h4-5,9-10H,1-3H2/t4-,5+/m0/s1.
What are the key properties of (2R,4S)-3,3-difluoro-2-(hydroxymethyl)oxan-4-ol?
(2R,4S)-3,3-difluoro-2-(hydroxymethyl)oxan-4-ol has a molecular weight of 168.14 g/mol, XLogP of -0.24, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-3,3-difluoro-2-(hydroxymethyl)oxan-4-ol is sourced from PubChem (CID 162599261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).