(2-acetyloxy-4-fluoro-5-oxooxolan-3-yl) acetate

C8H9FO6 — CID 123880527

IUPAC(2-acetyloxy-4-fluoro-5-oxooxolan-3-yl) acetate
SMILESCC(=O)OC1OC(=O)C(F)C1OC(C)=O
InChIInChI=1S/C8H9FO6/c1-3(10)13-6-5(9)7(12)15-8(6)14-4(2)11/h5-6,8H,1-2H3
InChIKeyRHEMKVAOCVRVNS-UHFFFAOYSA-N
MW220.15 g/mol
LogP-0.30
Rot. Bonds2

About (2-acetyloxy-4-fluoro-5-oxooxolan-3-yl) acetate

(2-acetyloxy-4-fluoro-5-oxooxolan-3-yl) acetate (PubChem CID 123880527) has the molecular formula C8H9FO6 and a molecular weight of 220.15 g/mol. Its IUPAC name is (2-acetyloxy-4-fluoro-5-oxooxolan-3-yl) acetate.

Molecular Properties

Compound Name(2-acetyloxy-4-fluoro-5-oxooxolan-3-yl) acetate
PubChem CID123880527
Molecular FormulaC8H9FO6
Molecular Weight220.15 g/mol
Exact Mass220.04
IUPAC Name(2-acetyloxy-4-fluoro-5-oxooxolan-3-yl) acetate
SMILESCC(=O)OC1OC(=O)C(F)C1OC(C)=O
InChIInChI=1S/C8H9FO6/c1-3(10)13-6-5(9)7(12)15-8(6)14-4(2)11/h5-6,8H,1-2H3
InChIKeyRHEMKVAOCVRVNS-UHFFFAOYSA-N
XLogP-0.30
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 5-0.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S,3R,3aR,6S,6aS)-2,6-diacetyloxy-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-3-yl] acetate
CID 124576741
[(2S,5S)-2,3,5,6-tetraacetyloxyoxan-4-yl] acetate
CID 134940268
[(1S,4R,7R)-3-acetyloxy-5-oxo-2-oxabicyclo[2.2.1]heptan-7-yl] acetate
CID 134922570
[(2S,3S,4R)-4,5-diacetyloxy-2-(fluoromethyl)oxolan-3-yl] acetate
CID 54559417
[4,5,6-triacetyloxy-2-(fluoromethyl)oxan-3-yl] acetate
CID 539135
[(2R,3R,4S,5R)-6-oxo-3,4,5-tris(phenylmethoxy)oxan-2-yl] acetate
CID 155351672
[(3R,6S)-4,5,6-triacetyloxy-3-fluorooxan-2-yl]methyl acetate
CID 134850004
[(2R,3R,4S,6S)-3,4,6-triacetyloxy-5-(18F)fluorooxan-2-yl]methyl acetate
CID 11068051
[(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
[(2R,3S)-5-acetyloxy-2-ethyl-4-fluorooxolan-3-yl] acetate
CID 58049083
[(2R,3S,4S,5R)-4,5-diacetyloxy-2-methyloxolan-3-yl] acetate
CID 70178929

Frequently Asked Questions

What is the IUPAC name of (2-acetyloxy-4-fluoro-5-oxooxolan-3-yl) acetate?
The IUPAC name of (2-acetyloxy-4-fluoro-5-oxooxolan-3-yl) acetate (CID 123880527) is (2-acetyloxy-4-fluoro-5-oxooxolan-3-yl) acetate.
What is the SMILES notation for (2-acetyloxy-4-fluoro-5-oxooxolan-3-yl) acetate?
The canonical SMILES for (2-acetyloxy-4-fluoro-5-oxooxolan-3-yl) acetate is CC(=O)OC1OC(=O)C(F)C1OC(C)=O.
What is the InChIKey of (2-acetyloxy-4-fluoro-5-oxooxolan-3-yl) acetate?
The InChIKey is RHEMKVAOCVRVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO6/c1-3(10)13-6-5(9)7(12)15-8(6)14-4(2)11/h5-6,8H,1-2H3.
What are the key properties of (2-acetyloxy-4-fluoro-5-oxooxolan-3-yl) acetate?
(2-acetyloxy-4-fluoro-5-oxooxolan-3-yl) acetate has a molecular weight of 220.15 g/mol, XLogP of -0.30, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetyloxy-4-fluoro-5-oxooxolan-3-yl) acetate is sourced from PubChem (CID 123880527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).