(2R,3S)-2-(hydroxymethyl)-2-(trifluoromethyl)oxolan-3-ol

C6H9F3O3 — CID 155149265

IUPAC(2R,3S)-2-(hydroxymethyl)-2-(trifluoromethyl)oxolan-3-ol
SMILESOC[C@@]1(C(F)(F)F)OCC[C@@H]1O
InChIInChI=1S/C6H9F3O3/c7-6(8,9)5(3-10)4(11)1-2-12-5/h4,10-11H,1-3H2/t4-,5+/m0/s1
InChIKeyUOOVNYCSSJOBGT-CRCLSJGQSA-N
MW186.13 g/mol
LogP0.06
Rot. Bonds1

About (2R,3S)-2-(hydroxymethyl)-2-(trifluoromethyl)oxolan-3-ol

(2R,3S)-2-(hydroxymethyl)-2-(trifluoromethyl)oxolan-3-ol (PubChem CID 155149265) has the molecular formula C6H9F3O3 and a molecular weight of 186.13 g/mol. Its IUPAC name is (2R,3S)-2-(hydroxymethyl)-2-(trifluoromethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3S)-2-(hydroxymethyl)-2-(trifluoromethyl)oxolan-3-ol
PubChem CID155149265
Molecular FormulaC6H9F3O3
Molecular Weight186.13 g/mol
Exact Mass186.05
IUPAC Name(2R,3S)-2-(hydroxymethyl)-2-(trifluoromethyl)oxolan-3-ol
SMILESOC[C@@]1(C(F)(F)F)OCC[C@@H]1O
InChIInChI=1S/C6H9F3O3/c7-6(8,9)5(3-10)4(11)1-2-12-5/h4,10-11H,1-3H2/t4-,5+/m0/s1
InChIKeyUOOVNYCSSJOBGT-CRCLSJGQSA-N
XLogP0.06
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 ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-2,2-dimethyloxolan-3-ol
CID 13327311
2,2-diethyloxolan-3-ol
CID 130122256
(2S,4S)-2-tert-butyl-3,3-difluorooxane-2,4-diol
CID 132603402
(3S)-2-methyloxolane-2,3-diol
CID 134855830
2-ethynyl-2-(2-hydroxyethyl)oxolan-3-ol
CID 175850985
(2R,4S)-3,3-difluoro-2-(hydroxymethyl)oxan-4-ol
CID 162599261
(4S)-1-oxaspiro[4.5]decan-4-ol
CID 134985958
[(3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-(trifluoromethyl)oxolan-2-yl] acetate
CID 118596255
(4S)-4-methyl-2-(trifluoromethyl)oxan-2-ol
CID 59705891
(3R)-2,2-diphenyloxolan-3-ol
CID 125490634
(2S)-2,3-dimethyl-2-(trifluoromethyl)oxolane
CID 156750340
2-hydroxy-2-(2,2,2-trifluoroethyl)-1,3,2-dioxaphospholan-2-ium
CID 173019461

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-(hydroxymethyl)-2-(trifluoromethyl)oxolan-3-ol?
The IUPAC name of (2R,3S)-2-(hydroxymethyl)-2-(trifluoromethyl)oxolan-3-ol (CID 155149265) is (2R,3S)-2-(hydroxymethyl)-2-(trifluoromethyl)oxolan-3-ol.
What is the SMILES notation for (2R,3S)-2-(hydroxymethyl)-2-(trifluoromethyl)oxolan-3-ol?
The canonical SMILES for (2R,3S)-2-(hydroxymethyl)-2-(trifluoromethyl)oxolan-3-ol is OC[C@@]1(C(F)(F)F)OCC[C@@H]1O.
What is the InChIKey of (2R,3S)-2-(hydroxymethyl)-2-(trifluoromethyl)oxolan-3-ol?
The InChIKey is UOOVNYCSSJOBGT-CRCLSJGQSA-N. The full InChI is InChI=1S/C6H9F3O3/c7-6(8,9)5(3-10)4(11)1-2-12-5/h4,10-11H,1-3H2/t4-,5+/m0/s1.
What are the key properties of (2R,3S)-2-(hydroxymethyl)-2-(trifluoromethyl)oxolan-3-ol?
(2R,3S)-2-(hydroxymethyl)-2-(trifluoromethyl)oxolan-3-ol has a molecular weight of 186.13 g/mol, XLogP of 0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-(hydroxymethyl)-2-(trifluoromethyl)oxolan-3-ol is sourced from PubChem (CID 155149265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).