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

C10H19FO4 — CID 59065123

IUPAC(2S,3R,4R,5R,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-QMGXLNLGSA-N
MW222.26 g/mol
LogP-0.15
Rot. Bonds1

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

(2S,3R,4R,5R,6S)-2-tert-butyl-6-(fluoromethyl)oxane-3,4,5-triol (PubChem CID 59065123) has the molecular formula C10H19FO4 and a molecular weight of 222.26 g/mol. Its IUPAC name is (2S,3R,4R,5R,6S)-2-tert-butyl-6-(fluoromethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4R,5R,6S)-2-tert-butyl-6-(fluoromethyl)oxane-3,4,5-triol
PubChem CID59065123
Molecular FormulaC10H19FO4
Molecular Weight222.26 g/mol
Exact Mass222.13
IUPAC Name(2S,3R,4R,5R,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-QMGXLNLGSA-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

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

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Related Compounds

2-(Hydroxymethyl)-6-(2-methylpropyl)oxane-3,4,5-triol
CID 58743772
(2R,4S)-4-fluoro-2-(hydroxymethyl)-5,5-dimethyloxan-3-ol
CID 58060762
(2R,3R,4S,5R)-5-fluoro-7,7-dimethyloctane-1,2,3,4-tetrol
CID 58201960
(2S,3R,4R,5S)-1-fluoro-7,7-dimethyloctane-2,3,4,5-tetrol
CID 58201967
(2S,3S,4R,5S)-1-fluoro-7,7-dimethyloctane-2,3,4,5-tetrol
CID 58202031
(2R,3S,4S,5S)-5-fluoro-7,7-dimethyloctane-1,2,3,4-tetrol
CID 58202053
(2S,3R,4R,5S,6R)-2-tert-butyl-5-fluoro-6-(hydroxymethyl)-4-methyloxan-3-ol
CID 59065114
(2S,3R,4R,5S,6R)-2-tert-butyl-5-fluoro-6-(fluoromethyl)oxane-3,4-diol
CID 59065117
(2S,3R,4R,5S,6S)-2-tert-butyl-6-(fluoromethyl)-4-methyloxane-3,5-diol
CID 59065124
(2S,3R,4R,5S,6S)-2-tert-butyl-6-(fluoromethyl)oxane-3,4,5-triol
CID 59065127
(2S,3R,4R,5S,6R)-2-tert-butyl-5-fluoro-6-(fluoromethyl)-4-methyloxan-3-ol
CID 59065128
(2S,3R,4R,5S,6R)-2-tert-butyl-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol
CID 59065129

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5R,6S)-2-tert-butyl-6-(fluoromethyl)oxane-3,4,5-triol?
The IUPAC name of (2S,3R,4R,5R,6S)-2-tert-butyl-6-(fluoromethyl)oxane-3,4,5-triol (CID 59065123) is (2S,3R,4R,5R,6S)-2-tert-butyl-6-(fluoromethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2S,3R,4R,5R,6S)-2-tert-butyl-6-(fluoromethyl)oxane-3,4,5-triol?
The canonical SMILES for (2S,3R,4R,5R,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,5R,6S)-2-tert-butyl-6-(fluoromethyl)oxane-3,4,5-triol?
The InChIKey is XXYBHWCDWLYSFE-QMGXLNLGSA-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,5R,6S)-2-tert-butyl-6-(fluoromethyl)oxane-3,4,5-triol?
(2S,3R,4R,5R,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,5R,6S)-2-tert-butyl-6-(fluoromethyl)oxane-3,4,5-triol is sourced from PubChem (CID 59065123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).