(2S,3R,4R,6R)-2-tert-butyl-5,5-difluoro-6-(hydroxymethyl)-4-methyloxan-3-ol

C11H20F2O3 — CID 59065136

IUPAC(2S,3R,4R,6R)-2-tert-butyl-5,5-difluoro-6-(hydroxymethyl)-4-methyloxan-3-ol
SMILESC[C@@H]1[C@@H](O)[C@H](C(C)(C)C)O[C@H](CO)C1(F)F
InChIInChI=1S/C11H20F2O3/c1-6-8(15)9(10(2,3)4)16-7(5-14)11(6,12)13/h6-9,14-15H,5H2,1-4H3/t6-,7-,8-,9-/m1/s1
InChIKeyXAHQDQGFNCYKPX-FNCVBFRFSA-N
MW238.27 g/mol
LogP1.42
Rot. Bonds1

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

(2S,3R,4R,6R)-2-tert-butyl-5,5-difluoro-6-(hydroxymethyl)-4-methyloxan-3-ol (PubChem CID 59065136) has the molecular formula C11H20F2O3 and a molecular weight of 238.27 g/mol. Its IUPAC name is (2S,3R,4R,6R)-2-tert-butyl-5,5-difluoro-6-(hydroxymethyl)-4-methyloxan-3-ol.

Molecular Properties

Compound Name(2S,3R,4R,6R)-2-tert-butyl-5,5-difluoro-6-(hydroxymethyl)-4-methyloxan-3-ol
PubChem CID59065136
Molecular FormulaC11H20F2O3
Molecular Weight238.27 g/mol
Exact Mass238.14
IUPAC Name(2S,3R,4R,6R)-2-tert-butyl-5,5-difluoro-6-(hydroxymethyl)-4-methyloxan-3-ol
SMILESC[C@@H]1[C@@H](O)[C@H](C(C)(C)C)O[C@H](CO)C1(F)F
InChIInChI=1S/C11H20F2O3/c1-6-8(15)9(10(2,3)4)16-7(5-14)11(6,12)13/h6-9,14-15H,5H2,1-4H3/t6-,7-,8-,9-/m1/s1
InChIKeyXAHQDQGFNCYKPX-FNCVBFRFSA-N
XLogP1.42
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

2-tert-butyl-5,5-difluoro-6-(hydroxymethyl)oxane-3,4-diol
CID 20758643
2-tert-butyl-5-(hydroxymethyl)-4-methyloxolan-3-ol
CID 58532026
(3R,4R,5S,6R)-2-tert-butyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 70960673
(2S,3R,5R)-2-tert-butyl-6-methyloxane-3,4,5-triol
CID 58716381
3,3-difluoro-2-(hydroxymethyl)-6-methyloxan-4-ol
CID 142172439
2-tert-butyl-4,6-dimethyloxane-3,5-diol
CID 59892631
2-tert-butyl-5-(2,3-dimethylbutan-2-yl)-6-(hydroxymethyl)oxane-3,4-diol
CID 153348400
2-tert-butyl-6-(fluoromethyl)oxane-3,4,5-triol
CID 20758632
2-tert-butyl-6-(trifluoromethyl)oxane-3,4,5-triol
CID 146643726
(2S,3R,4R,5S,6R)-6-(aminomethyl)-2-tert-butyl-5-fluoro-4-methyloxan-3-ol
CID 59065158
(3S,4R,6R)-5-tert-butyl-2-(hydroxymethyl)-6-methyloxane-3,4-diol
CID 159891300
(3S,4R,5R,6S)-2-tert-butyl-6-ethyloxane-3,4,5-triol
CID 70862657

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,6R)-2-tert-butyl-5,5-difluoro-6-(hydroxymethyl)-4-methyloxan-3-ol?
The IUPAC name of (2S,3R,4R,6R)-2-tert-butyl-5,5-difluoro-6-(hydroxymethyl)-4-methyloxan-3-ol (CID 59065136) is (2S,3R,4R,6R)-2-tert-butyl-5,5-difluoro-6-(hydroxymethyl)-4-methyloxan-3-ol.
What is the SMILES notation for (2S,3R,4R,6R)-2-tert-butyl-5,5-difluoro-6-(hydroxymethyl)-4-methyloxan-3-ol?
The canonical SMILES for (2S,3R,4R,6R)-2-tert-butyl-5,5-difluoro-6-(hydroxymethyl)-4-methyloxan-3-ol is C[C@@H]1[C@@H](O)[C@H](C(C)(C)C)O[C@H](CO)C1(F)F.
What is the InChIKey of (2S,3R,4R,6R)-2-tert-butyl-5,5-difluoro-6-(hydroxymethyl)-4-methyloxan-3-ol?
The InChIKey is XAHQDQGFNCYKPX-FNCVBFRFSA-N. The full InChI is InChI=1S/C11H20F2O3/c1-6-8(15)9(10(2,3)4)16-7(5-14)11(6,12)13/h6-9,14-15H,5H2,1-4H3/t6-,7-,8-,9-/m1/s1.
What are the key properties of (2S,3R,4R,6R)-2-tert-butyl-5,5-difluoro-6-(hydroxymethyl)-4-methyloxan-3-ol?
(2S,3R,4R,6R)-2-tert-butyl-5,5-difluoro-6-(hydroxymethyl)-4-methyloxan-3-ol has a molecular weight of 238.27 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,6R)-2-tert-butyl-5,5-difluoro-6-(hydroxymethyl)-4-methyloxan-3-ol is sourced from PubChem (CID 59065136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).