[5,5-bis(trifluoromethyl)oxolan-2-yl] 2,2-dimethylpropanoate

C11H14F6O3 — CID 146492797

IUPAC[5,5-bis(trifluoromethyl)oxolan-2-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC1CCC(C(F)(F)F)(C(F)(F)F)O1
InChIInChI=1S/C11H14F6O3/c1-8(2,3)7(18)19-6-4-5-9(20-6,10(12,13)14)11(15,16)17/h6H,4-5H2,1-3H3
InChIKeyCCVZPWILPROXML-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.58
Rot. Bonds1

About [5,5-bis(trifluoromethyl)oxolan-2-yl] 2,2-dimethylpropanoate

[5,5-bis(trifluoromethyl)oxolan-2-yl] 2,2-dimethylpropanoate (PubChem CID 146492797) has the molecular formula C11H14F6O3 and a molecular weight of 308.22 g/mol. Its IUPAC name is [5,5-bis(trifluoromethyl)oxolan-2-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[5,5-bis(trifluoromethyl)oxolan-2-yl] 2,2-dimethylpropanoate
PubChem CID146492797
Molecular FormulaC11H14F6O3
Molecular Weight308.22 g/mol
Exact Mass308.08
IUPAC Name[5,5-bis(trifluoromethyl)oxolan-2-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC1CCC(C(F)(F)F)(C(F)(F)F)O1
InChIInChI=1S/C11H14F6O3/c1-8(2,3)7(18)19-6-4-5-9(20-6,10(12,13)14)11(15,16)17/h6H,4-5H2,1-3H3
InChIKeyCCVZPWILPROXML-UHFFFAOYSA-N
XLogP3.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5,5-bis(trifluoromethyl)oxolan-2-yl] 2,2-dimethylpropanoate?
The IUPAC name of [5,5-bis(trifluoromethyl)oxolan-2-yl] 2,2-dimethylpropanoate (CID 146492797) is [5,5-bis(trifluoromethyl)oxolan-2-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [5,5-bis(trifluoromethyl)oxolan-2-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [5,5-bis(trifluoromethyl)oxolan-2-yl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)OC1CCC(C(F)(F)F)(C(F)(F)F)O1.
What is the InChIKey of [5,5-bis(trifluoromethyl)oxolan-2-yl] 2,2-dimethylpropanoate?
The InChIKey is CCVZPWILPROXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F6O3/c1-8(2,3)7(18)19-6-4-5-9(20-6,10(12,13)14)11(15,16)17/h6H,4-5H2,1-3H3.
What are the key properties of [5,5-bis(trifluoromethyl)oxolan-2-yl] 2,2-dimethylpropanoate?
[5,5-bis(trifluoromethyl)oxolan-2-yl] 2,2-dimethylpropanoate has a molecular weight of 308.22 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5,5-bis(trifluoromethyl)oxolan-2-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 146492797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).