[(3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-(trifluoromethyl)oxolan-2-yl] acetate

C8H10F4O5 — CID 118596255

IUPAC[(3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-(trifluoromethyl)oxolan-2-yl] acetate
SMILESCC(=O)OC1O[C@@](CO)(C(F)(F)F)[C@@H](O)[C@H]1F
InChIInChI=1S/C8H10F4O5/c1-3(14)16-6-4(9)5(15)7(2-13,17-6)8(10,11)12/h4-6,13,15H,2H2,1H3/t4-,5+,6?,7-/m1/s1
InChIKeyNHWGSNRQFJSAID-RDCZQUQVSA-N
MW262.15 g/mol
LogP-0.10
Rot. Bonds2

About [(3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-(trifluoromethyl)oxolan-2-yl] acetate

[(3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-(trifluoromethyl)oxolan-2-yl] acetate (PubChem CID 118596255) has the molecular formula C8H10F4O5 and a molecular weight of 262.15 g/mol. Its IUPAC name is [(3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-(trifluoromethyl)oxolan-2-yl] acetate.

Molecular Properties

Compound Name[(3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-(trifluoromethyl)oxolan-2-yl] acetate
PubChem CID118596255
Molecular FormulaC8H10F4O5
Molecular Weight262.15 g/mol
Exact Mass262.05
IUPAC Name[(3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-(trifluoromethyl)oxolan-2-yl] acetate
SMILESCC(=O)OC1O[C@@](CO)(C(F)(F)F)[C@@H](O)[C@H]1F
InChIInChI=1S/C8H10F4O5/c1-3(14)16-6-4(9)5(15)7(2-13,17-6)8(10,11)12/h4-6,13,15H,2H2,1H3/t4-,5+,6?,7-/m1/s1
InChIKeyNHWGSNRQFJSAID-RDCZQUQVSA-N
XLogP-0.10
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.15
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R,4R,5R)-4-butoxy-3-fluoro-5-(trifluoromethyl)-5-(trityloxymethyl)oxolan-2-yl] acetate
CID 118596063
[(2R,3S,4S,5S)-5,6-diacetyloxy-3-hydroxy-2-(hydroxymethyl)-2-methyloxan-4-yl] acetate
CID 90443543
[(3S,5R)-5-ethyl-4,4-difluoro-3-hydroxyoxolan-2-yl] acetate
CID 126585094
[(3R,4R,5R,6R)-2,3-diacetyloxy-5-fluoro-6-(hydroxymethyl)oxan-4-yl] acetate
CID 141343269
(6-ethyl-3-(18F)fluoro-4,5-dimethyloxan-2-yl) acetate
CID 71289777
[(2R,3R,4R,5R,6S)-4,5,6-triacetyloxy-3-fluorooxan-2-yl]methyl acetate
CID 102239836
[(2R,3R,4S,6S)-3,4,6-triacetyloxy-5-(18F)fluorooxan-2-yl]methyl acetate
CID 11068051
[(3R,6S)-4,5,6-triacetyloxy-3-fluorooxan-2-yl]methyl acetate
CID 134850004
[(2R,3S,4R,5R,6R)-4,5,6-triacetyloxy-3-fluorooxan-2-yl]methyl acetate
CID 22870722
[(2R,3R,5S)-3,4-dihydroxy-5-(hydroxymethyl)-5-[(2R,4S,5R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl acetate
CID 118509016
[(2R,3S)-5-acetyloxy-2-ethyl-4-fluorooxolan-3-yl] acetate
CID 58049083
[(2S,3R,4R,5S)-4,5-diacetyloxy-3-(trifluoromethyl)oxolan-2-yl]methyl acetate
CID 11001971

Frequently Asked Questions

What is the IUPAC name of [(3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-(trifluoromethyl)oxolan-2-yl] acetate?
The IUPAC name of [(3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-(trifluoromethyl)oxolan-2-yl] acetate (CID 118596255) is [(3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-(trifluoromethyl)oxolan-2-yl] acetate.
What is the SMILES notation for [(3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-(trifluoromethyl)oxolan-2-yl] acetate?
The canonical SMILES for [(3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-(trifluoromethyl)oxolan-2-yl] acetate is CC(=O)OC1O[C@@](CO)(C(F)(F)F)[C@@H](O)[C@H]1F.
What is the InChIKey of [(3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-(trifluoromethyl)oxolan-2-yl] acetate?
The InChIKey is NHWGSNRQFJSAID-RDCZQUQVSA-N. The full InChI is InChI=1S/C8H10F4O5/c1-3(14)16-6-4(9)5(15)7(2-13,17-6)8(10,11)12/h4-6,13,15H,2H2,1H3/t4-,5+,6?,7-/m1/s1.
What are the key properties of [(3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-(trifluoromethyl)oxolan-2-yl] acetate?
[(3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-(trifluoromethyl)oxolan-2-yl] acetate has a molecular weight of 262.15 g/mol, XLogP of -0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-(trifluoromethyl)oxolan-2-yl] acetate is sourced from PubChem (CID 118596255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).