[(2R,3S)-5-acetyloxy-2-ethyl-4-fluorooxolan-3-yl] acetate

C10H15FO5 — CID 58049083

IUPAC[(2R,3S)-5-acetyloxy-2-ethyl-4-fluorooxolan-3-yl] acetate
SMILESCC[C@H]1OC(OC(C)=O)C(F)[C@H]1OC(C)=O
InChIInChI=1S/C10H15FO5/c1-4-7-9(14-5(2)12)8(11)10(16-7)15-6(3)13/h7-10H,4H2,1-3H3/t7-,8?,9+,10?/m1/s1
InChIKeyYULHGILQLUQVCZ-RJQCTPFPSA-N
MW234.22 g/mol
LogP0.95
Rot. Bonds3

About [(2R,3S)-5-acetyloxy-2-ethyl-4-fluorooxolan-3-yl] acetate

[(2R,3S)-5-acetyloxy-2-ethyl-4-fluorooxolan-3-yl] acetate (PubChem CID 58049083) has the molecular formula C10H15FO5 and a molecular weight of 234.22 g/mol. Its IUPAC name is [(2R,3S)-5-acetyloxy-2-ethyl-4-fluorooxolan-3-yl] acetate.

Molecular Properties

Compound Name[(2R,3S)-5-acetyloxy-2-ethyl-4-fluorooxolan-3-yl] acetate
PubChem CID58049083
Molecular FormulaC10H15FO5
Molecular Weight234.22 g/mol
Exact Mass234.09
IUPAC Name[(2R,3S)-5-acetyloxy-2-ethyl-4-fluorooxolan-3-yl] acetate
SMILESCC[C@H]1OC(OC(C)=O)C(F)[C@H]1OC(C)=O
InChIInChI=1S/C10H15FO5/c1-4-7-9(14-5(2)12)8(11)10(16-7)15-6(3)13/h7-10H,4H2,1-3H3/t7-,8?,9+,10?/m1/s1
InChIKeyYULHGILQLUQVCZ-RJQCTPFPSA-N
XLogP0.95
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(6-ethyl-3-(18F)fluoro-4,5-dimethyloxan-2-yl) acetate
CID 71289777
[(2R,3R,4S,6S)-3,4,6-triacetyloxy-5-(18F)fluorooxan-2-yl]methyl acetate
CID 11068051
(2-acetyloxy-6-ethyl-3-(18F)fluoro-5-methoxyoxan-4-yl) acetate;(2-acetyloxy-6-ethyl-3-hydroxy-5-methoxyoxan-4-yl) acetate;trifluoro(methylsulfonyl)methane
CID 157411983
(4,5-diacetyloxy-2-ethyl-6-methoxyoxan-3-yl) acetate
CID 54172413
[(3R,4R,5R,6R)-2,3-diacetyloxy-5-fluoro-6-(hydroxymethyl)oxan-4-yl] acetate
CID 141343269
[(2R,3R,4S,5R)-5-benzoyloxy-2-ethyl-4-fluorooxolan-3-yl] benzoate
CID 170213383
[(2S,3S,4R,5S)-5-benzoyloxy-2-ethyl-4-fluorooxolan-3-yl] benzoate
CID 58741926
[(2S,3R,4R,5R,6R)-4,5-diacetyloxy-6-ethyl-2-methyloxan-3-yl] acetate
CID 90364742
[(2R,3R,4S,5R,6S)-4,6-diacetyloxy-5-fluoro-3-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate
CID 172822615
[(3R,6S)-4,5,6-triacetyloxy-3-fluorooxan-2-yl]methyl acetate
CID 134850004
[(2R,3R,4R,5R,6S)-4,5,6-triacetyloxy-3-fluorooxan-2-yl]methyl acetate
CID 102239836
[(2R,3S,4R,5R,6R)-4,5,6-triacetyloxy-3-fluorooxan-2-yl]methyl acetate
CID 22870722

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-5-acetyloxy-2-ethyl-4-fluorooxolan-3-yl] acetate?
The IUPAC name of [(2R,3S)-5-acetyloxy-2-ethyl-4-fluorooxolan-3-yl] acetate (CID 58049083) is [(2R,3S)-5-acetyloxy-2-ethyl-4-fluorooxolan-3-yl] acetate.
What is the SMILES notation for [(2R,3S)-5-acetyloxy-2-ethyl-4-fluorooxolan-3-yl] acetate?
The canonical SMILES for [(2R,3S)-5-acetyloxy-2-ethyl-4-fluorooxolan-3-yl] acetate is CC[C@H]1OC(OC(C)=O)C(F)[C@H]1OC(C)=O.
What is the InChIKey of [(2R,3S)-5-acetyloxy-2-ethyl-4-fluorooxolan-3-yl] acetate?
The InChIKey is YULHGILQLUQVCZ-RJQCTPFPSA-N. The full InChI is InChI=1S/C10H15FO5/c1-4-7-9(14-5(2)12)8(11)10(16-7)15-6(3)13/h7-10H,4H2,1-3H3/t7-,8?,9+,10?/m1/s1.
What are the key properties of [(2R,3S)-5-acetyloxy-2-ethyl-4-fluorooxolan-3-yl] acetate?
[(2R,3S)-5-acetyloxy-2-ethyl-4-fluorooxolan-3-yl] acetate has a molecular weight of 234.22 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-5-acetyloxy-2-ethyl-4-fluorooxolan-3-yl] acetate is sourced from PubChem (CID 58049083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).