2-methyl-2-[3,3,3-trifluoro-1-[(2-methylpropan-2-yl)oxy]propoxy]propane

C11H21F3O2 — CID 15324360

IUPAC2-methyl-2-[3,3,3-trifluoro-1-[(2-methylpropan-2-yl)oxy]propoxy]propane
SMILESCC(C)(C)OC(CC(F)(F)F)OC(C)(C)C
InChIInChI=1S/C11H21F3O2/c1-9(2,3)15-8(7-11(12,13)14)16-10(4,5)6/h8H,7H2,1-6H3
InChIKeyQBSXEKQJGVNVEM-UHFFFAOYSA-N
MW242.28 g/mol
LogP3.90
Rot. Bonds3

About 2-methyl-2-[3,3,3-trifluoro-1-[(2-methylpropan-2-yl)oxy]propoxy]propane

2-methyl-2-[3,3,3-trifluoro-1-[(2-methylpropan-2-yl)oxy]propoxy]propane (PubChem CID 15324360) has the molecular formula C11H21F3O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-methyl-2-[3,3,3-trifluoro-1-[(2-methylpropan-2-yl)oxy]propoxy]propane.

Molecular Properties

Compound Name2-methyl-2-[3,3,3-trifluoro-1-[(2-methylpropan-2-yl)oxy]propoxy]propane
PubChem CID15324360
Molecular FormulaC11H21F3O2
Molecular Weight242.28 g/mol
Exact Mass242.15
IUPAC Name2-methyl-2-[3,3,3-trifluoro-1-[(2-methylpropan-2-yl)oxy]propoxy]propane
SMILESCC(C)(C)OC(CC(F)(F)F)OC(C)(C)C
InChIInChI=1S/C11H21F3O2/c1-9(2,3)15-8(7-11(12,13)14)16-10(4,5)6/h8H,7H2,1-6H3
InChIKeyQBSXEKQJGVNVEM-UHFFFAOYSA-N
XLogP3.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 53.90
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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Related Compounds

2-Methyl-1,1-bis(2,2,2-trifluoroethoxy)propane
CID 12643288
1-[1-(2,2,2-Trifluoroethoxy)propoxy]butane
CID 129841693
Di-t-butoxyethane
CID 14560604
3,3,3-Trifluoropropanal diisobutyl acetal
CID 11107526
3,3-Diethoxy-1,1,1-trifluoro-2-methylpropane
CID 13134820
3,3,3-Trifluoropropanal dibutyl acetal
CID 15324359
2-(Ethoxymethoxy)-1,1,1-trifluoro-2-(trifluoromethyl)butane
CID 20826490
3-(1-Ethoxyethoxy)-2,2-difluoro-3-methylpentane
CID 57316865
2-Methyl-2-(1,1,1-trifluoropropan-2-yloxymethoxy)propane;tetrakis(rutherfordium)
CID 57548616
2-[2-(1-Ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxy-2,3,3-trifluorobutane
CID 58820906
1,1,1-Trifluoro-3,3-di(propan-2-yloxy)propane
CID 58871487
1,1,1,3,3,3-Hexafluoro-2-(1-methoxyethoxy)-2-methylpropane
CID 88047986

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[3,3,3-trifluoro-1-[(2-methylpropan-2-yl)oxy]propoxy]propane?
The IUPAC name of 2-methyl-2-[3,3,3-trifluoro-1-[(2-methylpropan-2-yl)oxy]propoxy]propane (CID 15324360) is 2-methyl-2-[3,3,3-trifluoro-1-[(2-methylpropan-2-yl)oxy]propoxy]propane.
What is the SMILES notation for 2-methyl-2-[3,3,3-trifluoro-1-[(2-methylpropan-2-yl)oxy]propoxy]propane?
The canonical SMILES for 2-methyl-2-[3,3,3-trifluoro-1-[(2-methylpropan-2-yl)oxy]propoxy]propane is CC(C)(C)OC(CC(F)(F)F)OC(C)(C)C.
What is the InChIKey of 2-methyl-2-[3,3,3-trifluoro-1-[(2-methylpropan-2-yl)oxy]propoxy]propane?
The InChIKey is QBSXEKQJGVNVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3O2/c1-9(2,3)15-8(7-11(12,13)14)16-10(4,5)6/h8H,7H2,1-6H3.
What are the key properties of 2-methyl-2-[3,3,3-trifluoro-1-[(2-methylpropan-2-yl)oxy]propoxy]propane?
2-methyl-2-[3,3,3-trifluoro-1-[(2-methylpropan-2-yl)oxy]propoxy]propane has a molecular weight of 242.28 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[3,3,3-trifluoro-1-[(2-methylpropan-2-yl)oxy]propoxy]propane is sourced from PubChem (CID 15324360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).