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

C8H11FO5 — CID 167036382

IUPAC[(2R,3S,4R)-2-acetyloxy-4-fluorooxolan-3-yl] acetate
SMILESCC(=O)O[C@H]1OC[C@@H](F)[C@H]1OC(C)=O
InChIInChI=1S/C8H11FO5/c1-4(10)13-7-6(9)3-12-8(7)14-5(2)11/h6-8H,3H2,1-2H3/t6-,7-,8-/m1/s1
InChIKeyIOTKXRNZFVLDEB-BWZBUEFSSA-N
MW206.17 g/mol
LogP0.18
Rot. Bonds2

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

[(2R,3S,4R)-2-acetyloxy-4-fluorooxolan-3-yl] acetate (PubChem CID 167036382) has the molecular formula C8H11FO5 and a molecular weight of 206.17 g/mol. Its IUPAC name is [(2R,3S,4R)-2-acetyloxy-4-fluorooxolan-3-yl] acetate.

Molecular Properties

Compound Name[(2R,3S,4R)-2-acetyloxy-4-fluorooxolan-3-yl] acetate
PubChem CID167036382
Molecular FormulaC8H11FO5
Molecular Weight206.17 g/mol
Exact Mass206.06
IUPAC Name[(2R,3S,4R)-2-acetyloxy-4-fluorooxolan-3-yl] acetate
SMILESCC(=O)O[C@H]1OC[C@@H](F)[C@H]1OC(C)=O
InChIInChI=1S/C8H11FO5/c1-4(10)13-7-6(9)3-12-8(7)14-5(2)11/h6-8H,3H2,1-2H3/t6-,7-,8-/m1/s1
InChIKeyIOTKXRNZFVLDEB-BWZBUEFSSA-N
XLogP0.18
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R)-2-acetyloxy-4-fluorooxolan-3-yl] acetate?
The IUPAC name of [(2R,3S,4R)-2-acetyloxy-4-fluorooxolan-3-yl] acetate (CID 167036382) is [(2R,3S,4R)-2-acetyloxy-4-fluorooxolan-3-yl] acetate.
What is the SMILES notation for [(2R,3S,4R)-2-acetyloxy-4-fluorooxolan-3-yl] acetate?
The canonical SMILES for [(2R,3S,4R)-2-acetyloxy-4-fluorooxolan-3-yl] acetate is CC(=O)O[C@H]1OC[C@@H](F)[C@H]1OC(C)=O.
What is the InChIKey of [(2R,3S,4R)-2-acetyloxy-4-fluorooxolan-3-yl] acetate?
The InChIKey is IOTKXRNZFVLDEB-BWZBUEFSSA-N. The full InChI is InChI=1S/C8H11FO5/c1-4(10)13-7-6(9)3-12-8(7)14-5(2)11/h6-8H,3H2,1-2H3/t6-,7-,8-/m1/s1.
What are the key properties of [(2R,3S,4R)-2-acetyloxy-4-fluorooxolan-3-yl] acetate?
[(2R,3S,4R)-2-acetyloxy-4-fluorooxolan-3-yl] acetate has a molecular weight of 206.17 g/mol, XLogP of 0.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R)-2-acetyloxy-4-fluorooxolan-3-yl] acetate is sourced from PubChem (CID 167036382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).