[5-oxo-4-(trifluoromethyl)oxolan-3-yl] 2,2,3,3-tetramethylbutanoate

C13H19F3O4 — CID 162546003

IUPAC[5-oxo-4-(trifluoromethyl)oxolan-3-yl] 2,2,3,3-tetramethylbutanoate
SMILESCC(C)(C)C(C)(C)C(=O)OC1COC(=O)C1C(F)(F)F
InChIInChI=1S/C13H19F3O4/c1-11(2,3)12(4,5)10(18)20-7-6-19-9(17)8(7)13(14,15)16/h7-8H,6H2,1-5H3
InChIKeyZSQGVKKGYJBVIU-UHFFFAOYSA-N
MW296.29 g/mol
LogP2.71
Rot. Bonds2

About [5-oxo-4-(trifluoromethyl)oxolan-3-yl] 2,2,3,3-tetramethylbutanoate

[5-oxo-4-(trifluoromethyl)oxolan-3-yl] 2,2,3,3-tetramethylbutanoate (PubChem CID 162546003) has the molecular formula C13H19F3O4 and a molecular weight of 296.29 g/mol. Its IUPAC name is [5-oxo-4-(trifluoromethyl)oxolan-3-yl] 2,2,3,3-tetramethylbutanoate.

Molecular Properties

Compound Name[5-oxo-4-(trifluoromethyl)oxolan-3-yl] 2,2,3,3-tetramethylbutanoate
PubChem CID162546003
Molecular FormulaC13H19F3O4
Molecular Weight296.29 g/mol
Exact Mass296.12
IUPAC Name[5-oxo-4-(trifluoromethyl)oxolan-3-yl] 2,2,3,3-tetramethylbutanoate
SMILESCC(C)(C)C(C)(C)C(=O)OC1COC(=O)C1C(F)(F)F
InChIInChI=1S/C13H19F3O4/c1-11(2,3)12(4,5)10(18)20-7-6-19-9(17)8(7)13(14,15)16/h7-8H,6H2,1-5H3
InChIKeyZSQGVKKGYJBVIU-UHFFFAOYSA-N
XLogP2.71
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-oxo-4-(trifluoromethyl)oxolan-3-yl] 2,2,3,3-tetramethylbutanoate?
The IUPAC name of [5-oxo-4-(trifluoromethyl)oxolan-3-yl] 2,2,3,3-tetramethylbutanoate (CID 162546003) is [5-oxo-4-(trifluoromethyl)oxolan-3-yl] 2,2,3,3-tetramethylbutanoate.
What is the SMILES notation for [5-oxo-4-(trifluoromethyl)oxolan-3-yl] 2,2,3,3-tetramethylbutanoate?
The canonical SMILES for [5-oxo-4-(trifluoromethyl)oxolan-3-yl] 2,2,3,3-tetramethylbutanoate is CC(C)(C)C(C)(C)C(=O)OC1COC(=O)C1C(F)(F)F.
What is the InChIKey of [5-oxo-4-(trifluoromethyl)oxolan-3-yl] 2,2,3,3-tetramethylbutanoate?
The InChIKey is ZSQGVKKGYJBVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3O4/c1-11(2,3)12(4,5)10(18)20-7-6-19-9(17)8(7)13(14,15)16/h7-8H,6H2,1-5H3.
What are the key properties of [5-oxo-4-(trifluoromethyl)oxolan-3-yl] 2,2,3,3-tetramethylbutanoate?
[5-oxo-4-(trifluoromethyl)oxolan-3-yl] 2,2,3,3-tetramethylbutanoate has a molecular weight of 296.29 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-oxo-4-(trifluoromethyl)oxolan-3-yl] 2,2,3,3-tetramethylbutanoate is sourced from PubChem (CID 162546003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).