2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethoxy]propane

C8H15F3O2 — CID 130376330

IUPAC2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethoxy]propane
SMILESCC(C)(C)OCCOCC(F)(F)F
InChIInChI=1S/C8H15F3O2/c1-7(2,3)13-5-4-12-6-8(9,10)11/h4-6H2,1-3H3
InChIKeyVIJSYZBRCGYSGI-UHFFFAOYSA-N
MW200.20 g/mol
LogP2.38
Rot. Bonds4

About 2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethoxy]propane

2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethoxy]propane (PubChem CID 130376330) has the molecular formula C8H15F3O2 and a molecular weight of 200.20 g/mol. Its IUPAC name is 2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethoxy]propane.

Molecular Properties

Compound Name2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethoxy]propane
PubChem CID130376330
Molecular FormulaC8H15F3O2
Molecular Weight200.20 g/mol
Exact Mass200.10
IUPAC Name2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethoxy]propane
SMILESCC(C)(C)OCCOCC(F)(F)F
InChIInChI=1S/C8H15F3O2/c1-7(2,3)13-5-4-12-6-8(9,10)11/h4-6H2,1-3H3
InChIKeyVIJSYZBRCGYSGI-UHFFFAOYSA-N
XLogP2.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethoxy]propane?
The IUPAC name of 2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethoxy]propane (CID 130376330) is 2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethoxy]propane.
What is the SMILES notation for 2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethoxy]propane?
The canonical SMILES for 2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethoxy]propane is CC(C)(C)OCCOCC(F)(F)F.
What is the InChIKey of 2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethoxy]propane?
The InChIKey is VIJSYZBRCGYSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3O2/c1-7(2,3)13-5-4-12-6-8(9,10)11/h4-6H2,1-3H3.
What are the key properties of 2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethoxy]propane?
2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethoxy]propane has a molecular weight of 200.20 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethoxy]propane is sourced from PubChem (CID 130376330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).