(2S,3R,4R,6R)-2-tert-butyl-5,5-difluoro-6-(hydroxymethyl)oxane-3,4-diol

C10H18F2O4 — CID 59065142

IUPAC(2S,3R,4R,6R)-2-tert-butyl-5,5-difluoro-6-(hydroxymethyl)oxane-3,4-diol
SMILESCC(C)(C)[C@@H]1O[C@H](CO)C(F)(F)[C@H](O)[C@H]1O
InChIInChI=1S/C10H18F2O4/c1-9(2,3)8-6(14)7(15)10(11,12)5(4-13)16-8/h5-8,13-15H,4H2,1-3H3/t5-,6-,7-,8-/m1/s1
InChIKeyLJDSLUGMCSGFTP-WCTZXXKLSA-N
MW240.25 g/mol
LogP0.15
Rot. Bonds1

About (2S,3R,4R,6R)-2-tert-butyl-5,5-difluoro-6-(hydroxymethyl)oxane-3,4-diol

(2S,3R,4R,6R)-2-tert-butyl-5,5-difluoro-6-(hydroxymethyl)oxane-3,4-diol (PubChem CID 59065142) has the molecular formula C10H18F2O4 and a molecular weight of 240.25 g/mol. Its IUPAC name is (2S,3R,4R,6R)-2-tert-butyl-5,5-difluoro-6-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4R,6R)-2-tert-butyl-5,5-difluoro-6-(hydroxymethyl)oxane-3,4-diol
PubChem CID59065142
Molecular FormulaC10H18F2O4
Molecular Weight240.25 g/mol
Exact Mass240.12
IUPAC Name(2S,3R,4R,6R)-2-tert-butyl-5,5-difluoro-6-(hydroxymethyl)oxane-3,4-diol
SMILESCC(C)(C)[C@@H]1O[C@H](CO)C(F)(F)[C@H](O)[C@H]1O
InChIInChI=1S/C10H18F2O4/c1-9(2,3)8-6(14)7(15)10(11,12)5(4-13)16-8/h5-8,13-15H,4H2,1-3H3/t5-,6-,7-,8-/m1/s1
InChIKeyLJDSLUGMCSGFTP-WCTZXXKLSA-N
XLogP0.15
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S,3R,4R,6R)-2-tert-butyl-5,5-difluoro-6-(hydroxymethyl)oxane-3,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,6R)-2-tert-butyl-5,5-difluoro-6-(hydroxymethyl)oxane-3,4-diol?
The IUPAC name of (2S,3R,4R,6R)-2-tert-butyl-5,5-difluoro-6-(hydroxymethyl)oxane-3,4-diol (CID 59065142) is (2S,3R,4R,6R)-2-tert-butyl-5,5-difluoro-6-(hydroxymethyl)oxane-3,4-diol.
What is the SMILES notation for (2S,3R,4R,6R)-2-tert-butyl-5,5-difluoro-6-(hydroxymethyl)oxane-3,4-diol?
The canonical SMILES for (2S,3R,4R,6R)-2-tert-butyl-5,5-difluoro-6-(hydroxymethyl)oxane-3,4-diol is CC(C)(C)[C@@H]1O[C@H](CO)C(F)(F)[C@H](O)[C@H]1O.
What is the InChIKey of (2S,3R,4R,6R)-2-tert-butyl-5,5-difluoro-6-(hydroxymethyl)oxane-3,4-diol?
The InChIKey is LJDSLUGMCSGFTP-WCTZXXKLSA-N. The full InChI is InChI=1S/C10H18F2O4/c1-9(2,3)8-6(14)7(15)10(11,12)5(4-13)16-8/h5-8,13-15H,4H2,1-3H3/t5-,6-,7-,8-/m1/s1.
What are the key properties of (2S,3R,4R,6R)-2-tert-butyl-5,5-difluoro-6-(hydroxymethyl)oxane-3,4-diol?
(2S,3R,4R,6R)-2-tert-butyl-5,5-difluoro-6-(hydroxymethyl)oxane-3,4-diol has a molecular weight of 240.25 g/mol, XLogP of 0.15, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,6R)-2-tert-butyl-5,5-difluoro-6-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 59065142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).