3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-(2,2,2-trifluoroethoxy)butane

C13H25F3O3 — CID 130376585

IUPAC3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-(2,2,2-trifluoroethoxy)butane
SMILESCC(C)(C)OCCOCCC(C)(C)OCC(F)(F)F
InChIInChI=1S/C13H25F3O3/c1-11(2,3)18-9-8-17-7-6-12(4,5)19-10-13(14,15)16/h6-10H2,1-5H3
InChIKeyOWGJNMYCQNCGOT-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.57
Rot. Bonds8

About 3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-(2,2,2-trifluoroethoxy)butane

3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-(2,2,2-trifluoroethoxy)butane (PubChem CID 130376585) has the molecular formula C13H25F3O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-(2,2,2-trifluoroethoxy)butane.

Molecular Properties

Compound Name3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-(2,2,2-trifluoroethoxy)butane
PubChem CID130376585
Molecular FormulaC13H25F3O3
Molecular Weight286.33 g/mol
Exact Mass286.18
IUPAC Name3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-(2,2,2-trifluoroethoxy)butane
SMILESCC(C)(C)OCCOCCC(C)(C)OCC(F)(F)F
InChIInChI=1S/C13H25F3O3/c1-11(2,3)18-9-8-17-7-6-12(4,5)19-10-13(14,15)16/h6-10H2,1-5H3
InChIKeyOWGJNMYCQNCGOT-UHFFFAOYSA-N
XLogP3.57
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-(2,2,2-trifluoroethoxy)butane?
The IUPAC name of 3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-(2,2,2-trifluoroethoxy)butane (CID 130376585) is 3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-(2,2,2-trifluoroethoxy)butane.
What is the SMILES notation for 3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-(2,2,2-trifluoroethoxy)butane?
The canonical SMILES for 3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-(2,2,2-trifluoroethoxy)butane is CC(C)(C)OCCOCCC(C)(C)OCC(F)(F)F.
What is the InChIKey of 3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-(2,2,2-trifluoroethoxy)butane?
The InChIKey is OWGJNMYCQNCGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3O3/c1-11(2,3)18-9-8-17-7-6-12(4,5)19-10-13(14,15)16/h6-10H2,1-5H3.
What are the key properties of 3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-(2,2,2-trifluoroethoxy)butane?
3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-(2,2,2-trifluoroethoxy)butane has a molecular weight of 286.33 g/mol, XLogP of 3.57, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-(2,2,2-trifluoroethoxy)butane is sourced from PubChem (CID 130376585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).