(2S,3S,4S,5R,6R)-3,4,5-trifluoro-6-(hydroxymethyl)oxan-2-ol

C6H9F3O3 — CID 130763832

IUPAC(2S,3S,4S,5R,6R)-3,4,5-trifluoro-6-(hydroxymethyl)oxan-2-ol
SMILESOC[C@H]1O[C@H](O)[C@H](F)[C@@H](F)[C@@H]1F
InChIInChI=1S/C6H9F3O3/c7-3-2(1-10)12-6(11)5(9)4(3)8/h2-6,10-11H,1H2/t2-,3-,4+,5-,6+/m1/s1
InChIKeyNNCFKUYZXHKZEC-DVKNGEFBSA-N
MW186.13 g/mol
LogP-0.29
Rot. Bonds1

About (2S,3S,4S,5R,6R)-3,4,5-trifluoro-6-(hydroxymethyl)oxan-2-ol

(2S,3S,4S,5R,6R)-3,4,5-trifluoro-6-(hydroxymethyl)oxan-2-ol (PubChem CID 130763832) has the molecular formula C6H9F3O3 and a molecular weight of 186.13 g/mol. Its IUPAC name is (2S,3S,4S,5R,6R)-3,4,5-trifluoro-6-(hydroxymethyl)oxan-2-ol.

Molecular Properties

Compound Name(2S,3S,4S,5R,6R)-3,4,5-trifluoro-6-(hydroxymethyl)oxan-2-ol
PubChem CID130763832
Molecular FormulaC6H9F3O3
Molecular Weight186.13 g/mol
Exact Mass186.05
IUPAC Name(2S,3S,4S,5R,6R)-3,4,5-trifluoro-6-(hydroxymethyl)oxan-2-ol
SMILESOC[C@H]1O[C@H](O)[C@H](F)[C@@H](F)[C@@H]1F
InChIInChI=1S/C6H9F3O3/c7-3-2(1-10)12-6(11)5(9)4(3)8/h2-6,10-11H,1H2/t2-,3-,4+,5-,6+/m1/s1
InChIKeyNNCFKUYZXHKZEC-DVKNGEFBSA-N
XLogP-0.29
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.13
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolane-2,3-diol
CID 66649258
(3S,4S,5R)-4-(18F)fluoro-5-(hydroxymethyl)oxolane-2,3-diol
CID 71475417
(2R,3R,4R,5S,6S)-5-fluoro-6-(hydroxymethyl)oxane-2,3,4-triol
CID 51398012
(2R,3S,4R,5R)-3-fluoro-5-(hydroxymethyl)oxolane-2,4-diol
CID 18665788
(2R,3R,4S,5S,6R)-3-fluoro-6-(hydroxymethyl)oxane-2,4,5-triol
CID 5288324
(2S,3R,4S,5S)-3-(18F)fluoro-6-(hydroxymethyl)oxane-2,4,5-triol
CID 25173432
(3R,4R,5S)-4-amino-3-fluoro-5-(hydroxymethyl)oxolan-2-ol
CID 156564830
(2S)-4-(hydroxymethyl)oxetane-2,3-diol
CID 130341188
N-[(3R,4R,5S,6R)-5-fluoro-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 10466144
(2S,3S,5S)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 89313516
(2R,5S)-6-(hydroxymethyl)-1,4-dioxane-2,3,5-triol
CID 129307305
(3R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 67790855

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5R,6R)-3,4,5-trifluoro-6-(hydroxymethyl)oxan-2-ol?
The IUPAC name of (2S,3S,4S,5R,6R)-3,4,5-trifluoro-6-(hydroxymethyl)oxan-2-ol (CID 130763832) is (2S,3S,4S,5R,6R)-3,4,5-trifluoro-6-(hydroxymethyl)oxan-2-ol.
What is the SMILES notation for (2S,3S,4S,5R,6R)-3,4,5-trifluoro-6-(hydroxymethyl)oxan-2-ol?
The canonical SMILES for (2S,3S,4S,5R,6R)-3,4,5-trifluoro-6-(hydroxymethyl)oxan-2-ol is OC[C@H]1O[C@H](O)[C@H](F)[C@@H](F)[C@@H]1F.
What is the InChIKey of (2S,3S,4S,5R,6R)-3,4,5-trifluoro-6-(hydroxymethyl)oxan-2-ol?
The InChIKey is NNCFKUYZXHKZEC-DVKNGEFBSA-N. The full InChI is InChI=1S/C6H9F3O3/c7-3-2(1-10)12-6(11)5(9)4(3)8/h2-6,10-11H,1H2/t2-,3-,4+,5-,6+/m1/s1.
What are the key properties of (2S,3S,4S,5R,6R)-3,4,5-trifluoro-6-(hydroxymethyl)oxan-2-ol?
(2S,3S,4S,5R,6R)-3,4,5-trifluoro-6-(hydroxymethyl)oxan-2-ol has a molecular weight of 186.13 g/mol, XLogP of -0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5R,6R)-3,4,5-trifluoro-6-(hydroxymethyl)oxan-2-ol is sourced from PubChem (CID 130763832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).