3-ethoxy-4-methyl-1-(1,1,1-trifluoro-3-methylbutan-2-yl)oxypentane

C13H25F3O2 — CID 138662278

IUPAC3-ethoxy-4-methyl-1-(1,1,1-trifluoro-3-methylbutan-2-yl)oxypentane
SMILESCCOC(CCOC(C(C)C)C(F)(F)F)C(C)C
InChIInChI=1S/C13H25F3O2/c1-6-17-11(9(2)3)7-8-18-12(10(4)5)13(14,15)16/h9-12H,6-8H2,1-5H3
InChIKeyZJTIEVMGWPJKLA-UHFFFAOYSA-N
MW270.33 g/mol
LogP4.04
Rot. Bonds8

About 3-ethoxy-4-methyl-1-(1,1,1-trifluoro-3-methylbutan-2-yl)oxypentane

3-ethoxy-4-methyl-1-(1,1,1-trifluoro-3-methylbutan-2-yl)oxypentane (PubChem CID 138662278) has the molecular formula C13H25F3O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-ethoxy-4-methyl-1-(1,1,1-trifluoro-3-methylbutan-2-yl)oxypentane.

Molecular Properties

Compound Name3-ethoxy-4-methyl-1-(1,1,1-trifluoro-3-methylbutan-2-yl)oxypentane
PubChem CID138662278
Molecular FormulaC13H25F3O2
Molecular Weight270.33 g/mol
Exact Mass270.18
IUPAC Name3-ethoxy-4-methyl-1-(1,1,1-trifluoro-3-methylbutan-2-yl)oxypentane
SMILESCCOC(CCOC(C(C)C)C(F)(F)F)C(C)C
InChIInChI=1S/C13H25F3O2/c1-6-17-11(9(2)3)7-8-18-12(10(4)5)13(14,15)16/h9-12H,6-8H2,1-5H3
InChIKeyZJTIEVMGWPJKLA-UHFFFAOYSA-N
XLogP4.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-methyl-1-(1,1,1-trifluoro-3-methylbutan-2-yl)oxypentane?
The IUPAC name of 3-ethoxy-4-methyl-1-(1,1,1-trifluoro-3-methylbutan-2-yl)oxypentane (CID 138662278) is 3-ethoxy-4-methyl-1-(1,1,1-trifluoro-3-methylbutan-2-yl)oxypentane.
What is the SMILES notation for 3-ethoxy-4-methyl-1-(1,1,1-trifluoro-3-methylbutan-2-yl)oxypentane?
The canonical SMILES for 3-ethoxy-4-methyl-1-(1,1,1-trifluoro-3-methylbutan-2-yl)oxypentane is CCOC(CCOC(C(C)C)C(F)(F)F)C(C)C.
What is the InChIKey of 3-ethoxy-4-methyl-1-(1,1,1-trifluoro-3-methylbutan-2-yl)oxypentane?
The InChIKey is ZJTIEVMGWPJKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3O2/c1-6-17-11(9(2)3)7-8-18-12(10(4)5)13(14,15)16/h9-12H,6-8H2,1-5H3.
What are the key properties of 3-ethoxy-4-methyl-1-(1,1,1-trifluoro-3-methylbutan-2-yl)oxypentane?
3-ethoxy-4-methyl-1-(1,1,1-trifluoro-3-methylbutan-2-yl)oxypentane has a molecular weight of 270.33 g/mol, XLogP of 4.04, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-methyl-1-(1,1,1-trifluoro-3-methylbutan-2-yl)oxypentane is sourced from PubChem (CID 138662278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).