(2-acetyloxy-4-fluorooxolan-3-yl) acetate

C8H11FO5 — CID 175808706

IUPAC(2-acetyloxy-4-fluorooxolan-3-yl) acetate
SMILESCC(=O)OC1OCC(F)C1OC(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
InChIKeyIOTKXRNZFVLDEB-UHFFFAOYSA-N
MW206.17 g/mol
LogP0.18
Rot. Bonds2

About (2-acetyloxy-4-fluorooxolan-3-yl) acetate

(2-acetyloxy-4-fluorooxolan-3-yl) acetate (PubChem CID 175808706) has the molecular formula C8H11FO5 and a molecular weight of 206.17 g/mol. Its IUPAC name is (2-acetyloxy-4-fluorooxolan-3-yl) acetate.

Molecular Properties

Compound Name(2-acetyloxy-4-fluorooxolan-3-yl) acetate
PubChem CID175808706
Molecular FormulaC8H11FO5
Molecular Weight206.17 g/mol
Exact Mass206.06
IUPAC Name(2-acetyloxy-4-fluorooxolan-3-yl) acetate
SMILESCC(=O)OC1OCC(F)C1OC(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
InChIKeyIOTKXRNZFVLDEB-UHFFFAOYSA-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 (2-acetyloxy-4-fluorooxolan-3-yl) acetate?
The IUPAC name of (2-acetyloxy-4-fluorooxolan-3-yl) acetate (CID 175808706) is (2-acetyloxy-4-fluorooxolan-3-yl) acetate.
What is the SMILES notation for (2-acetyloxy-4-fluorooxolan-3-yl) acetate?
The canonical SMILES for (2-acetyloxy-4-fluorooxolan-3-yl) acetate is CC(=O)OC1OCC(F)C1OC(C)=O.
What is the InChIKey of (2-acetyloxy-4-fluorooxolan-3-yl) acetate?
The InChIKey is IOTKXRNZFVLDEB-UHFFFAOYSA-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.
What are the key properties of (2-acetyloxy-4-fluorooxolan-3-yl) acetate?
(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 (2-acetyloxy-4-fluorooxolan-3-yl) acetate is sourced from PubChem (CID 175808706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).