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

C10H19FO4 — CID 20758632

IUPAC2-tert-butyl-6-(fluoromethyl)oxane-3,4,5-triol
SMILESCC(C)(C)C1OC(CF)C(O)C(O)C1O
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
InChIKeyXXYBHWCDWLYSFE-UHFFFAOYSA-N
MW222.26 g/mol
LogP-0.15
Rot. Bonds1

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

2-tert-butyl-6-(fluoromethyl)oxane-3,4,5-triol (PubChem CID 20758632) has the molecular formula C10H19FO4 and a molecular weight of 222.26 g/mol. Its IUPAC name is 2-tert-butyl-6-(fluoromethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name2-tert-butyl-6-(fluoromethyl)oxane-3,4,5-triol
PubChem CID20758632
Molecular FormulaC10H19FO4
Molecular Weight222.26 g/mol
Exact Mass222.13
IUPAC Name2-tert-butyl-6-(fluoromethyl)oxane-3,4,5-triol
SMILESCC(C)(C)C1OC(CF)C(O)C(O)C1O
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
InChIKeyXXYBHWCDWLYSFE-UHFFFAOYSA-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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Related Compounds

(3R,4R,5S,6R)-2-tert-butyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 70960673
(3S,4R,5R,6S)-2-tert-butyl-6-ethyloxane-3,4,5-triol
CID 70862657
5-azido-2-tert-butyl-6-(fluoromethyl)oxane-3,4-diol
CID 20758645
2-tert-butyl-6-(trifluoromethyl)oxane-3,4,5-triol
CID 146643726
(2R,3R,4R,5S,6R)-6-(fluoromethyl)oxane-2,3,4,5-tetrol
CID 51398010
(2R,3R,4S,5R,6S)-6-(fluoromethyl)oxane-2,3,4,5-tetrol
CID 7191877
(2R,3S,4R,5R,6S)-2-(azidomethyl)-6-tert-butyloxane-3,4,5-triol
CID 59078200
(2S,3R,5R)-2-tert-butyl-6-methyloxane-3,4,5-triol
CID 58716381
S-[[(3R,4R)-6-tert-butyl-3,4,5-trihydroxyoxan-2-yl]methyl] ethanethioate
CID 59762518
2-((18F)fluoromethyl)-6-sulfanyloxane-3,4,5-triol
CID 59184393
2-tert-butyl-6-(fluoromethyl)oxane-3,4-diol
CID 20758656
(2S,3S,4S,5S)-2-((18F)fluoromethyl)-6-methoxyoxane-3,4,5-triol
CID 15949247

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(fluoromethyl)oxane-3,4,5-triol?
The IUPAC name of 2-tert-butyl-6-(fluoromethyl)oxane-3,4,5-triol (CID 20758632) is 2-tert-butyl-6-(fluoromethyl)oxane-3,4,5-triol.
What is the SMILES notation for 2-tert-butyl-6-(fluoromethyl)oxane-3,4,5-triol?
The canonical SMILES for 2-tert-butyl-6-(fluoromethyl)oxane-3,4,5-triol is CC(C)(C)C1OC(CF)C(O)C(O)C1O.
What is the InChIKey of 2-tert-butyl-6-(fluoromethyl)oxane-3,4,5-triol?
The InChIKey is XXYBHWCDWLYSFE-UHFFFAOYSA-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.
What are the key properties of 2-tert-butyl-6-(fluoromethyl)oxane-3,4,5-triol?
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 2-tert-butyl-6-(fluoromethyl)oxane-3,4,5-triol is sourced from PubChem (CID 20758632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).