(2S,3R,4R,5S,6S)-2-tert-butyl-6-(fluoromethyl)-4-methyloxane-3,5-diol

C11H21FO3 — CID 59065124

IUPAC(2S,3R,4R,5S,6S)-2-tert-butyl-6-(fluoromethyl)-4-methyloxane-3,5-diol
SMILESC[C@@H]1[C@@H](O)[C@H](C(C)(C)C)O[C@H](CF)[C@H]1O
InChIInChI=1S/C11H21FO3/c1-6-8(13)7(5-12)15-10(9(6)14)11(2,3)4/h6-10,13-14H,5H2,1-4H3/t6-,7+,8-,9+,10+/m0/s1
InChIKeySOPAGJAXVYJPPB-SQXHDICFSA-N
MW220.28 g/mol
LogP1.13
Rot. Bonds1

About (2S,3R,4R,5S,6S)-2-tert-butyl-6-(fluoromethyl)-4-methyloxane-3,5-diol

(2S,3R,4R,5S,6S)-2-tert-butyl-6-(fluoromethyl)-4-methyloxane-3,5-diol (PubChem CID 59065124) has the molecular formula C11H21FO3 and a molecular weight of 220.28 g/mol. Its IUPAC name is (2S,3R,4R,5S,6S)-2-tert-butyl-6-(fluoromethyl)-4-methyloxane-3,5-diol.

Molecular Properties

Compound Name(2S,3R,4R,5S,6S)-2-tert-butyl-6-(fluoromethyl)-4-methyloxane-3,5-diol
PubChem CID59065124
Molecular FormulaC11H21FO3
Molecular Weight220.28 g/mol
Exact Mass220.15
IUPAC Name(2S,3R,4R,5S,6S)-2-tert-butyl-6-(fluoromethyl)-4-methyloxane-3,5-diol
SMILESC[C@@H]1[C@@H](O)[C@H](C(C)(C)C)O[C@H](CF)[C@H]1O
InChIInChI=1S/C11H21FO3/c1-6-8(13)7(5-12)15-10(9(6)14)11(2,3)4/h6-10,13-14H,5H2,1-4H3/t6-,7+,8-,9+,10+/m0/s1
InChIKeySOPAGJAXVYJPPB-SQXHDICFSA-N
XLogP1.13
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,3R,4R,5S,6S)-2-tert-butyl-6-(fluoromethyl)-4-methyloxane-3,5-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,5S,6S)-2-tert-butyl-6-(fluoromethyl)-4-methyloxane-3,5-diol?
The IUPAC name of (2S,3R,4R,5S,6S)-2-tert-butyl-6-(fluoromethyl)-4-methyloxane-3,5-diol (CID 59065124) is (2S,3R,4R,5S,6S)-2-tert-butyl-6-(fluoromethyl)-4-methyloxane-3,5-diol.
What is the SMILES notation for (2S,3R,4R,5S,6S)-2-tert-butyl-6-(fluoromethyl)-4-methyloxane-3,5-diol?
The canonical SMILES for (2S,3R,4R,5S,6S)-2-tert-butyl-6-(fluoromethyl)-4-methyloxane-3,5-diol is C[C@@H]1[C@@H](O)[C@H](C(C)(C)C)O[C@H](CF)[C@H]1O.
What is the InChIKey of (2S,3R,4R,5S,6S)-2-tert-butyl-6-(fluoromethyl)-4-methyloxane-3,5-diol?
The InChIKey is SOPAGJAXVYJPPB-SQXHDICFSA-N. The full InChI is InChI=1S/C11H21FO3/c1-6-8(13)7(5-12)15-10(9(6)14)11(2,3)4/h6-10,13-14H,5H2,1-4H3/t6-,7+,8-,9+,10+/m0/s1.
What are the key properties of (2S,3R,4R,5S,6S)-2-tert-butyl-6-(fluoromethyl)-4-methyloxane-3,5-diol?
(2S,3R,4R,5S,6S)-2-tert-butyl-6-(fluoromethyl)-4-methyloxane-3,5-diol has a molecular weight of 220.28 g/mol, XLogP of 1.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5S,6S)-2-tert-butyl-6-(fluoromethyl)-4-methyloxane-3,5-diol is sourced from PubChem (CID 59065124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).