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

C10H18F2O3 — CID 59065117

IUPAC(2S,3R,4R,5S,6R)-2-tert-butyl-5-fluoro-6-(fluoromethyl)oxane-3,4-diol
SMILESCC(C)(C)[C@@H]1O[C@H](CF)[C@@H](F)[C@H](O)[C@H]1O
InChIInChI=1S/C10H18F2O3/c1-10(2,3)9-8(14)7(13)6(12)5(4-11)15-9/h5-9,13-14H,4H2,1-3H3/t5-,6-,7+,8-,9-/m1/s1
InChIKeyGTSLYMFLOVVOLB-SYHAXYEDSA-N
MW224.25 g/mol
LogP0.83
Rot. Bonds1

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

(2S,3R,4R,5S,6R)-2-tert-butyl-5-fluoro-6-(fluoromethyl)oxane-3,4-diol (PubChem CID 59065117) has the molecular formula C10H18F2O3 and a molecular weight of 224.25 g/mol. Its IUPAC name is (2S,3R,4R,5S,6R)-2-tert-butyl-5-fluoro-6-(fluoromethyl)oxane-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4R,5S,6R)-2-tert-butyl-5-fluoro-6-(fluoromethyl)oxane-3,4-diol
PubChem CID59065117
Molecular FormulaC10H18F2O3
Molecular Weight224.25 g/mol
Exact Mass224.12
IUPAC Name(2S,3R,4R,5S,6R)-2-tert-butyl-5-fluoro-6-(fluoromethyl)oxane-3,4-diol
SMILESCC(C)(C)[C@@H]1O[C@H](CF)[C@@H](F)[C@H](O)[C@H]1O
InChIInChI=1S/C10H18F2O3/c1-10(2,3)9-8(14)7(13)6(12)5(4-11)15-9/h5-9,13-14H,4H2,1-3H3/t5-,6-,7+,8-,9-/m1/s1
InChIKeyGTSLYMFLOVVOLB-SYHAXYEDSA-N
XLogP0.83
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5S,6R)-2-tert-butyl-5-fluoro-6-(fluoromethyl)oxane-3,4-diol?
The IUPAC name of (2S,3R,4R,5S,6R)-2-tert-butyl-5-fluoro-6-(fluoromethyl)oxane-3,4-diol (CID 59065117) is (2S,3R,4R,5S,6R)-2-tert-butyl-5-fluoro-6-(fluoromethyl)oxane-3,4-diol.
What is the SMILES notation for (2S,3R,4R,5S,6R)-2-tert-butyl-5-fluoro-6-(fluoromethyl)oxane-3,4-diol?
The canonical SMILES for (2S,3R,4R,5S,6R)-2-tert-butyl-5-fluoro-6-(fluoromethyl)oxane-3,4-diol is CC(C)(C)[C@@H]1O[C@H](CF)[C@@H](F)[C@H](O)[C@H]1O.
What is the InChIKey of (2S,3R,4R,5S,6R)-2-tert-butyl-5-fluoro-6-(fluoromethyl)oxane-3,4-diol?
The InChIKey is GTSLYMFLOVVOLB-SYHAXYEDSA-N. The full InChI is InChI=1S/C10H18F2O3/c1-10(2,3)9-8(14)7(13)6(12)5(4-11)15-9/h5-9,13-14H,4H2,1-3H3/t5-,6-,7+,8-,9-/m1/s1.
What are the key properties of (2S,3R,4R,5S,6R)-2-tert-butyl-5-fluoro-6-(fluoromethyl)oxane-3,4-diol?
(2S,3R,4R,5S,6R)-2-tert-butyl-5-fluoro-6-(fluoromethyl)oxane-3,4-diol has a molecular weight of 224.25 g/mol, XLogP of 0.83, 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,6R)-2-tert-butyl-5-fluoro-6-(fluoromethyl)oxane-3,4-diol is sourced from PubChem (CID 59065117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).