[(2R,4S,5S,6R)-4,5-dihydroxy-6-(trifluoromethyl)oxan-2-yl] acetate

C8H11F3O5 — CID 23240453

IUPAC[(2R,4S,5S,6R)-4,5-dihydroxy-6-(trifluoromethyl)oxan-2-yl] acetate
SMILESCC(=O)O[C@@H]1C[C@H](O)[C@H](O)[C@H](C(F)(F)F)O1
InChIInChI=1S/C8H11F3O5/c1-3(12)15-5-2-4(13)6(14)7(16-5)8(9,10)11/h4-7,13-14H,2H2,1H3/t4-,5-,6-,7+/m0/s1
InChIKeyNOSSFBJRUGRIOG-ZTYPAOSTSA-N
MW244.16 g/mol
LogP-0.05
Rot. Bonds1

About [(2R,4S,5S,6R)-4,5-dihydroxy-6-(trifluoromethyl)oxan-2-yl] acetate

[(2R,4S,5S,6R)-4,5-dihydroxy-6-(trifluoromethyl)oxan-2-yl] acetate (PubChem CID 23240453) has the molecular formula C8H11F3O5 and a molecular weight of 244.16 g/mol. Its IUPAC name is [(2R,4S,5S,6R)-4,5-dihydroxy-6-(trifluoromethyl)oxan-2-yl] acetate.

Molecular Properties

Compound Name[(2R,4S,5S,6R)-4,5-dihydroxy-6-(trifluoromethyl)oxan-2-yl] acetate
PubChem CID23240453
Molecular FormulaC8H11F3O5
Molecular Weight244.16 g/mol
Exact Mass244.06
IUPAC Name[(2R,4S,5S,6R)-4,5-dihydroxy-6-(trifluoromethyl)oxan-2-yl] acetate
SMILESCC(=O)O[C@@H]1C[C@H](O)[C@H](O)[C@H](C(F)(F)F)O1
InChIInChI=1S/C8H11F3O5/c1-3(12)15-5-2-4(13)6(14)7(16-5)8(9,10)11/h4-7,13-14H,2H2,1H3/t4-,5-,6-,7+/m0/s1
InChIKeyNOSSFBJRUGRIOG-ZTYPAOSTSA-N
XLogP-0.05
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.16
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S,3R,4R,6R)-3,6-diacetyloxy-2-(trifluoromethyl)oxan-4-yl] acetate
CID 67569005
[(4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] acetate
CID 44608559
[(2R,4S,5S,6R)-4,5-bis(phenylmethoxy)-6-(trifluoromethyl)oxan-2-yl] acetate
CID 23240451
[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] acetate
CID 90165528
[(3R,3aR,5S,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl] acetate
CID 164917808
[5-acetyloxy-3-fluoro-2-iodo-6-(trifluoromethyl)oxan-4-yl] acetate
CID 18980662
(2,3,4-trihydroxycyclopentyl) acetate
CID 14105902
[(1S,2S,3R,4S,6R)-2,3,4,6-tetrahydroxycyclohexyl] acetate
CID 71161221
[(4S,6S)-4-hydroxy-6-phenyloxan-2-yl] acetate
CID 134833790
[(2R,3S)-5-acetyloxy-3-(2,2,2-trifluoroacetyl)oxyoxolan-2-yl]methyl 2,2,2-trifluoroacetate
CID 44518465
[(2S,3R,4R,5S,6R)-4,5-diacetyloxy-6-[chloro(difluoro)methyl]-2-methyloxan-3-yl] acetate
CID 91145140
[(2S,3S,4S,5S)-4-acetyloxy-5-hydroxy-2,6-dimethyloxan-3-yl] acetate
CID 167555032

Frequently Asked Questions

What is the IUPAC name of [(2R,4S,5S,6R)-4,5-dihydroxy-6-(trifluoromethyl)oxan-2-yl] acetate?
The IUPAC name of [(2R,4S,5S,6R)-4,5-dihydroxy-6-(trifluoromethyl)oxan-2-yl] acetate (CID 23240453) is [(2R,4S,5S,6R)-4,5-dihydroxy-6-(trifluoromethyl)oxan-2-yl] acetate.
What is the SMILES notation for [(2R,4S,5S,6R)-4,5-dihydroxy-6-(trifluoromethyl)oxan-2-yl] acetate?
The canonical SMILES for [(2R,4S,5S,6R)-4,5-dihydroxy-6-(trifluoromethyl)oxan-2-yl] acetate is CC(=O)O[C@@H]1C[C@H](O)[C@H](O)[C@H](C(F)(F)F)O1.
What is the InChIKey of [(2R,4S,5S,6R)-4,5-dihydroxy-6-(trifluoromethyl)oxan-2-yl] acetate?
The InChIKey is NOSSFBJRUGRIOG-ZTYPAOSTSA-N. The full InChI is InChI=1S/C8H11F3O5/c1-3(12)15-5-2-4(13)6(14)7(16-5)8(9,10)11/h4-7,13-14H,2H2,1H3/t4-,5-,6-,7+/m0/s1.
What are the key properties of [(2R,4S,5S,6R)-4,5-dihydroxy-6-(trifluoromethyl)oxan-2-yl] acetate?
[(2R,4S,5S,6R)-4,5-dihydroxy-6-(trifluoromethyl)oxan-2-yl] acetate has a molecular weight of 244.16 g/mol, XLogP of -0.05, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S,5S,6R)-4,5-dihydroxy-6-(trifluoromethyl)oxan-2-yl] acetate is sourced from PubChem (CID 23240453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).