(2-oxooxolan-3-yl) 3,3,3-trifluoro-2-methylpropanoate

C8H9F3O4 — CID 58225852

IUPAC(2-oxooxolan-3-yl) 3,3,3-trifluoro-2-methylpropanoate
SMILESCC(C(=O)OC1CCOC1=O)C(F)(F)F
InChIInChI=1S/C8H9F3O4/c1-4(8(9,10)11)6(12)15-5-2-3-14-7(5)13/h4-5H,2-3H2,1H3
InChIKeyZOTFXINCCXADRY-UHFFFAOYSA-N
MW226.15 g/mol
LogP1.04
Rot. Bonds2

About (2-oxooxolan-3-yl) 3,3,3-trifluoro-2-methylpropanoate

(2-oxooxolan-3-yl) 3,3,3-trifluoro-2-methylpropanoate (PubChem CID 58225852) has the molecular formula C8H9F3O4 and a molecular weight of 226.15 g/mol. Its IUPAC name is (2-oxooxolan-3-yl) 3,3,3-trifluoro-2-methylpropanoate.

Molecular Properties

Compound Name(2-oxooxolan-3-yl) 3,3,3-trifluoro-2-methylpropanoate
PubChem CID58225852
Molecular FormulaC8H9F3O4
Molecular Weight226.15 g/mol
Exact Mass226.05
IUPAC Name(2-oxooxolan-3-yl) 3,3,3-trifluoro-2-methylpropanoate
SMILESCC(C(=O)OC1CCOC1=O)C(F)(F)F
InChIInChI=1S/C8H9F3O4/c1-4(8(9,10)11)6(12)15-5-2-3-14-7(5)13/h4-5H,2-3H2,1H3
InChIKeyZOTFXINCCXADRY-UHFFFAOYSA-N
XLogP1.04
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.15
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-oxooxolan-3-yl) 3,3,3-trifluoro-2-methylpropanoate?
The IUPAC name of (2-oxooxolan-3-yl) 3,3,3-trifluoro-2-methylpropanoate (CID 58225852) is (2-oxooxolan-3-yl) 3,3,3-trifluoro-2-methylpropanoate.
What is the SMILES notation for (2-oxooxolan-3-yl) 3,3,3-trifluoro-2-methylpropanoate?
The canonical SMILES for (2-oxooxolan-3-yl) 3,3,3-trifluoro-2-methylpropanoate is CC(C(=O)OC1CCOC1=O)C(F)(F)F.
What is the InChIKey of (2-oxooxolan-3-yl) 3,3,3-trifluoro-2-methylpropanoate?
The InChIKey is ZOTFXINCCXADRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3O4/c1-4(8(9,10)11)6(12)15-5-2-3-14-7(5)13/h4-5H,2-3H2,1H3.
What are the key properties of (2-oxooxolan-3-yl) 3,3,3-trifluoro-2-methylpropanoate?
(2-oxooxolan-3-yl) 3,3,3-trifluoro-2-methylpropanoate has a molecular weight of 226.15 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxooxolan-3-yl) 3,3,3-trifluoro-2-methylpropanoate is sourced from PubChem (CID 58225852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).