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

C11H15F3O4 — CID 58676270

IUPAC[5-oxo-4-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC1COC(=O)C1C(F)(F)F
InChIInChI=1S/C11H15F3O4/c1-4-10(2,3)9(16)18-6-5-17-8(15)7(6)11(12,13)14/h6-7H,4-5H2,1-3H3
InChIKeyDZHZAMGUHCQFSZ-UHFFFAOYSA-N
MW268.23 g/mol
LogP2.07
Rot. Bonds3

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

[5-oxo-4-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate (PubChem CID 58676270) has the molecular formula C11H15F3O4 and a molecular weight of 268.23 g/mol. Its IUPAC name is [5-oxo-4-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate.

Molecular Properties

Compound Name[5-oxo-4-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate
PubChem CID58676270
Molecular FormulaC11H15F3O4
Molecular Weight268.23 g/mol
Exact Mass268.09
IUPAC Name[5-oxo-4-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC1COC(=O)C1C(F)(F)F
InChIInChI=1S/C11H15F3O4/c1-4-10(2,3)9(16)18-6-5-17-8(15)7(6)11(12,13)14/h6-7H,4-5H2,1-3H3
InChIKeyDZHZAMGUHCQFSZ-UHFFFAOYSA-N
XLogP2.07
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 52.07
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-dimethylbutanoate?
The IUPAC name of [5-oxo-4-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate (CID 58676270) is [5-oxo-4-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate.
What is the SMILES notation for [5-oxo-4-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate?
The canonical SMILES for [5-oxo-4-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC1COC(=O)C1C(F)(F)F.
What is the InChIKey of [5-oxo-4-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate?
The InChIKey is DZHZAMGUHCQFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3O4/c1-4-10(2,3)9(16)18-6-5-17-8(15)7(6)11(12,13)14/h6-7H,4-5H2,1-3H3.
What are the key properties of [5-oxo-4-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate?
[5-oxo-4-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate has a molecular weight of 268.23 g/mol, XLogP of 2.07, 3 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-dimethylbutanoate is sourced from PubChem (CID 58676270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).