(2S,3R,4R,5S,6S)-2-tert-butyl-6-(fluoromethyl)oxane-3,4,5-triol

C10H19FO4 — CID 59065127

IUPAC(2S,3R,4R,5S,6S)-2-tert-butyl-6-(fluoromethyl)oxane-3,4,5-triol
SMILESCC(C)(C)[C@@H]1O[C@H](CF)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C10H19FO4/c1-10(2,3)9-8(14)7(13)6(12)5(4-11)15-9/h5-9,12-14H,4H2,1-3H3/t5-,6-,7+,8-,9-/m1/s1
InChIKeyXXYBHWCDWLYSFE-SYHAXYEDSA-N
MW222.26 g/mol
LogP-0.15
Rot. Bonds1

About (2S,3R,4R,5S,6S)-2-tert-butyl-6-(fluoromethyl)oxane-3,4,5-triol

(2S,3R,4R,5S,6S)-2-tert-butyl-6-(fluoromethyl)oxane-3,4,5-triol (PubChem CID 59065127) has the molecular formula C10H19FO4 and a molecular weight of 222.26 g/mol. Its IUPAC name is (2S,3R,4R,5S,6S)-2-tert-butyl-6-(fluoromethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4R,5S,6S)-2-tert-butyl-6-(fluoromethyl)oxane-3,4,5-triol
PubChem CID59065127
Molecular FormulaC10H19FO4
Molecular Weight222.26 g/mol
Exact Mass222.13
IUPAC Name(2S,3R,4R,5S,6S)-2-tert-butyl-6-(fluoromethyl)oxane-3,4,5-triol
SMILESCC(C)(C)[C@@H]1O[C@H](CF)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C10H19FO4/c1-10(2,3)9-8(14)7(13)6(12)5(4-11)15-9/h5-9,12-14H,4H2,1-3H3/t5-,6-,7+,8-,9-/m1/s1
InChIKeyXXYBHWCDWLYSFE-SYHAXYEDSA-N
XLogP-0.15
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5S,6S)-2-tert-butyl-6-(fluoromethyl)oxane-3,4,5-triol?
The IUPAC name of (2S,3R,4R,5S,6S)-2-tert-butyl-6-(fluoromethyl)oxane-3,4,5-triol (CID 59065127) is (2S,3R,4R,5S,6S)-2-tert-butyl-6-(fluoromethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2S,3R,4R,5S,6S)-2-tert-butyl-6-(fluoromethyl)oxane-3,4,5-triol?
The canonical SMILES for (2S,3R,4R,5S,6S)-2-tert-butyl-6-(fluoromethyl)oxane-3,4,5-triol is CC(C)(C)[C@@H]1O[C@H](CF)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2S,3R,4R,5S,6S)-2-tert-butyl-6-(fluoromethyl)oxane-3,4,5-triol?
The InChIKey is XXYBHWCDWLYSFE-SYHAXYEDSA-N. The full InChI is InChI=1S/C10H19FO4/c1-10(2,3)9-8(14)7(13)6(12)5(4-11)15-9/h5-9,12-14H,4H2,1-3H3/t5-,6-,7+,8-,9-/m1/s1.
What are the key properties of (2S,3R,4R,5S,6S)-2-tert-butyl-6-(fluoromethyl)oxane-3,4,5-triol?
(2S,3R,4R,5S,6S)-2-tert-butyl-6-(fluoromethyl)oxane-3,4,5-triol has a molecular weight of 222.26 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,5S,6S)-2-tert-butyl-6-(fluoromethyl)oxane-3,4,5-triol is sourced from PubChem (CID 59065127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).