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

C6H10F2O5S — CID 56977517

IUPAC(2R,3R,5S)-4,4-difluoro-2-(hydroxymethyl)-5-methylsulfonyloxolan-3-ol
SMILESCS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O)C1(F)F
InChIInChI=1S/C6H10F2O5S/c1-14(11,12)5-6(7,8)4(10)3(2-9)13-5/h3-5,9-10H,2H2,1H3/t3-,4-,5+/m1/s1
InChIKeyXQCQVQHHQJSTIN-WDCZJNDASA-N
MW232.20 g/mol
LogP-1.26
Rot. Bonds2

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

(2R,3R,5S)-4,4-difluoro-2-(hydroxymethyl)-5-methylsulfonyloxolan-3-ol (PubChem CID 56977517) has the molecular formula C6H10F2O5S and a molecular weight of 232.20 g/mol. Its IUPAC name is (2R,3R,5S)-4,4-difluoro-2-(hydroxymethyl)-5-methylsulfonyloxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,5S)-4,4-difluoro-2-(hydroxymethyl)-5-methylsulfonyloxolan-3-ol
PubChem CID56977517
Molecular FormulaC6H10F2O5S
Molecular Weight232.20 g/mol
Exact Mass232.02
IUPAC Name(2R,3R,5S)-4,4-difluoro-2-(hydroxymethyl)-5-methylsulfonyloxolan-3-ol
SMILESCS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O)C1(F)F
InChIInChI=1S/C6H10F2O5S/c1-14(11,12)5-6(7,8)4(10)3(2-9)13-5/h3-5,9-10H,2H2,1H3/t3-,4-,5+/m1/s1
InChIKeyXQCQVQHHQJSTIN-WDCZJNDASA-N
XLogP-1.26
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 5-1.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,5S)-4,4-difluoro-2-(hydroxymethyl)-5-methylsulfonyloxolan-3-ol?
The IUPAC name of (2R,3R,5S)-4,4-difluoro-2-(hydroxymethyl)-5-methylsulfonyloxolan-3-ol (CID 56977517) is (2R,3R,5S)-4,4-difluoro-2-(hydroxymethyl)-5-methylsulfonyloxolan-3-ol.
What is the SMILES notation for (2R,3R,5S)-4,4-difluoro-2-(hydroxymethyl)-5-methylsulfonyloxolan-3-ol?
The canonical SMILES for (2R,3R,5S)-4,4-difluoro-2-(hydroxymethyl)-5-methylsulfonyloxolan-3-ol is CS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O)C1(F)F.
What is the InChIKey of (2R,3R,5S)-4,4-difluoro-2-(hydroxymethyl)-5-methylsulfonyloxolan-3-ol?
The InChIKey is XQCQVQHHQJSTIN-WDCZJNDASA-N. The full InChI is InChI=1S/C6H10F2O5S/c1-14(11,12)5-6(7,8)4(10)3(2-9)13-5/h3-5,9-10H,2H2,1H3/t3-,4-,5+/m1/s1.
What are the key properties of (2R,3R,5S)-4,4-difluoro-2-(hydroxymethyl)-5-methylsulfonyloxolan-3-ol?
(2R,3R,5S)-4,4-difluoro-2-(hydroxymethyl)-5-methylsulfonyloxolan-3-ol has a molecular weight of 232.20 g/mol, XLogP of -1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5S)-4,4-difluoro-2-(hydroxymethyl)-5-methylsulfonyloxolan-3-ol is sourced from PubChem (CID 56977517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).