2-methyl-2-[2-(trifluoromethoxy)ethoxy]propane

C7H13F3O2 — CID 134514091

IUPAC2-methyl-2-[2-(trifluoromethoxy)ethoxy]propane
SMILESCC(C)(C)OCCOC(F)(F)F
InChIInChI=1S/C7H13F3O2/c1-6(2,3)11-4-5-12-7(8,9)10/h4-5H2,1-3H3
InChIKeyMFLLGPKKOUAYOB-UHFFFAOYSA-N
MW186.17 g/mol
LogP2.34
Rot. Bonds3

About 2-methyl-2-[2-(trifluoromethoxy)ethoxy]propane

2-methyl-2-[2-(trifluoromethoxy)ethoxy]propane (PubChem CID 134514091) has the molecular formula C7H13F3O2 and a molecular weight of 186.17 g/mol. Its IUPAC name is 2-methyl-2-[2-(trifluoromethoxy)ethoxy]propane.

Molecular Properties

Compound Name2-methyl-2-[2-(trifluoromethoxy)ethoxy]propane
PubChem CID134514091
Molecular FormulaC7H13F3O2
Molecular Weight186.17 g/mol
Exact Mass186.09
IUPAC Name2-methyl-2-[2-(trifluoromethoxy)ethoxy]propane
SMILESCC(C)(C)OCCOC(F)(F)F
InChIInChI=1S/C7H13F3O2/c1-6(2,3)11-4-5-12-7(8,9)10/h4-5H2,1-3H3
InChIKeyMFLLGPKKOUAYOB-UHFFFAOYSA-N
XLogP2.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 52.34
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-(trifluoromethoxy)ethoxy]propane?
The IUPAC name of 2-methyl-2-[2-(trifluoromethoxy)ethoxy]propane (CID 134514091) is 2-methyl-2-[2-(trifluoromethoxy)ethoxy]propane.
What is the SMILES notation for 2-methyl-2-[2-(trifluoromethoxy)ethoxy]propane?
The canonical SMILES for 2-methyl-2-[2-(trifluoromethoxy)ethoxy]propane is CC(C)(C)OCCOC(F)(F)F.
What is the InChIKey of 2-methyl-2-[2-(trifluoromethoxy)ethoxy]propane?
The InChIKey is MFLLGPKKOUAYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3O2/c1-6(2,3)11-4-5-12-7(8,9)10/h4-5H2,1-3H3.
What are the key properties of 2-methyl-2-[2-(trifluoromethoxy)ethoxy]propane?
2-methyl-2-[2-(trifluoromethoxy)ethoxy]propane has a molecular weight of 186.17 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-(trifluoromethoxy)ethoxy]propane is sourced from PubChem (CID 134514091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).