2-methyl-1-[3,3,3-trifluoro-1-(2-methylpropoxy)propoxy]propane

C11H21F3O2 — CID 11107526

IUPAC2-methyl-1-[3,3,3-trifluoro-1-(2-methylpropoxy)propoxy]propane
SMILESCC(C)COC(CC(F)(F)F)OCC(C)C
InChIInChI=1S/C11H21F3O2/c1-8(2)6-15-10(5-11(12,13)14)16-7-9(3)4/h8-10H,5-7H2,1-4H3
InChIKeyKRNYKEQRUDIUMJ-UHFFFAOYSA-N
MW242.28 g/mol
LogP3.61
Rot. Bonds7

About 2-methyl-1-[3,3,3-trifluoro-1-(2-methylpropoxy)propoxy]propane

2-methyl-1-[3,3,3-trifluoro-1-(2-methylpropoxy)propoxy]propane (PubChem CID 11107526) has the molecular formula C11H21F3O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-methyl-1-[3,3,3-trifluoro-1-(2-methylpropoxy)propoxy]propane.

Molecular Properties

Compound Name2-methyl-1-[3,3,3-trifluoro-1-(2-methylpropoxy)propoxy]propane
PubChem CID11107526
Molecular FormulaC11H21F3O2
Molecular Weight242.28 g/mol
Exact Mass242.15
IUPAC Name2-methyl-1-[3,3,3-trifluoro-1-(2-methylpropoxy)propoxy]propane
SMILESCC(C)COC(CC(F)(F)F)OCC(C)C
InChIInChI=1S/C11H21F3O2/c1-8(2)6-15-10(5-11(12,13)14)16-7-9(3)4/h8-10H,5-7H2,1-4H3
InChIKeyKRNYKEQRUDIUMJ-UHFFFAOYSA-N
XLogP3.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3,3,3-trifluoro-1-(2-methylpropoxy)propoxy]propane?
The IUPAC name of 2-methyl-1-[3,3,3-trifluoro-1-(2-methylpropoxy)propoxy]propane (CID 11107526) is 2-methyl-1-[3,3,3-trifluoro-1-(2-methylpropoxy)propoxy]propane.
What is the SMILES notation for 2-methyl-1-[3,3,3-trifluoro-1-(2-methylpropoxy)propoxy]propane?
The canonical SMILES for 2-methyl-1-[3,3,3-trifluoro-1-(2-methylpropoxy)propoxy]propane is CC(C)COC(CC(F)(F)F)OCC(C)C.
What is the InChIKey of 2-methyl-1-[3,3,3-trifluoro-1-(2-methylpropoxy)propoxy]propane?
The InChIKey is KRNYKEQRUDIUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3O2/c1-8(2)6-15-10(5-11(12,13)14)16-7-9(3)4/h8-10H,5-7H2,1-4H3.
What are the key properties of 2-methyl-1-[3,3,3-trifluoro-1-(2-methylpropoxy)propoxy]propane?
2-methyl-1-[3,3,3-trifluoro-1-(2-methylpropoxy)propoxy]propane has a molecular weight of 242.28 g/mol, XLogP of 3.61, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3,3,3-trifluoro-1-(2-methylpropoxy)propoxy]propane is sourced from PubChem (CID 11107526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).