[1,1,1-trifluoro-3-[(2-methylpropan-2-yl)oxy]propan-2-yl] 2,2-dimethylpropanoate

C12H21F3O3 — CID 89221674

IUPAC[1,1,1-trifluoro-3-[(2-methylpropan-2-yl)oxy]propan-2-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)OCC(OC(=O)C(C)(C)C)C(F)(F)F
InChIInChI=1S/C12H21F3O3/c1-10(2,3)9(16)18-8(12(13,14)15)7-17-11(4,5)6/h8H,7H2,1-6H3
InChIKeyUCJCJVUCDOZLDF-UHFFFAOYSA-N
MW270.29 g/mol
LogP3.32
Rot. Bonds3

About [1,1,1-trifluoro-3-[(2-methylpropan-2-yl)oxy]propan-2-yl] 2,2-dimethylpropanoate

[1,1,1-trifluoro-3-[(2-methylpropan-2-yl)oxy]propan-2-yl] 2,2-dimethylpropanoate (PubChem CID 89221674) has the molecular formula C12H21F3O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is [1,1,1-trifluoro-3-[(2-methylpropan-2-yl)oxy]propan-2-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[1,1,1-trifluoro-3-[(2-methylpropan-2-yl)oxy]propan-2-yl] 2,2-dimethylpropanoate
PubChem CID89221674
Molecular FormulaC12H21F3O3
Molecular Weight270.29 g/mol
Exact Mass270.14
IUPAC Name[1,1,1-trifluoro-3-[(2-methylpropan-2-yl)oxy]propan-2-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)OCC(OC(=O)C(C)(C)C)C(F)(F)F
InChIInChI=1S/C12H21F3O3/c1-10(2,3)9(16)18-8(12(13,14)15)7-17-11(4,5)6/h8H,7H2,1-6H3
InChIKeyUCJCJVUCDOZLDF-UHFFFAOYSA-N
XLogP3.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1,1,1-trifluoro-3-[(2-methylpropan-2-yl)oxy]propan-2-yl] 2,2-dimethylpropanoate?
The IUPAC name of [1,1,1-trifluoro-3-[(2-methylpropan-2-yl)oxy]propan-2-yl] 2,2-dimethylpropanoate (CID 89221674) is [1,1,1-trifluoro-3-[(2-methylpropan-2-yl)oxy]propan-2-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [1,1,1-trifluoro-3-[(2-methylpropan-2-yl)oxy]propan-2-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [1,1,1-trifluoro-3-[(2-methylpropan-2-yl)oxy]propan-2-yl] 2,2-dimethylpropanoate is CC(C)(C)OCC(OC(=O)C(C)(C)C)C(F)(F)F.
What is the InChIKey of [1,1,1-trifluoro-3-[(2-methylpropan-2-yl)oxy]propan-2-yl] 2,2-dimethylpropanoate?
The InChIKey is UCJCJVUCDOZLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3O3/c1-10(2,3)9(16)18-8(12(13,14)15)7-17-11(4,5)6/h8H,7H2,1-6H3.
What are the key properties of [1,1,1-trifluoro-3-[(2-methylpropan-2-yl)oxy]propan-2-yl] 2,2-dimethylpropanoate?
[1,1,1-trifluoro-3-[(2-methylpropan-2-yl)oxy]propan-2-yl] 2,2-dimethylpropanoate has a molecular weight of 270.29 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1,1-trifluoro-3-[(2-methylpropan-2-yl)oxy]propan-2-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 89221674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).