1,1,1-trifluoro-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethoxy]propane

C8H12F6O2 — CID 23524069

IUPAC1,1,1-trifluoro-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethoxy]propane
SMILESCC(OCCOC(C)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H12F6O2/c1-5(7(9,10)11)15-3-4-16-6(2)8(12,13)14/h5-6H,3-4H2,1-2H3
InChIKeyYJSAQEVXDJHJMD-UHFFFAOYSA-N
MW254.17 g/mol
LogP2.92
Rot. Bonds5

About 1,1,1-trifluoro-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethoxy]propane

1,1,1-trifluoro-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethoxy]propane (PubChem CID 23524069) has the molecular formula C8H12F6O2 and a molecular weight of 254.17 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethoxy]propane.

Molecular Properties

Compound Name1,1,1-trifluoro-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethoxy]propane
PubChem CID23524069
Molecular FormulaC8H12F6O2
Molecular Weight254.17 g/mol
Exact Mass254.07
IUPAC Name1,1,1-trifluoro-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethoxy]propane
SMILESCC(OCCOC(C)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H12F6O2/c1-5(7(9,10)11)15-3-4-16-6(2)8(12,13)14/h5-6H,3-4H2,1-2H3
InChIKeyYJSAQEVXDJHJMD-UHFFFAOYSA-N
XLogP2.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 52.92
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 1,1,1-trifluoro-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethoxy]propane?
The IUPAC name of 1,1,1-trifluoro-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethoxy]propane (CID 23524069) is 1,1,1-trifluoro-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethoxy]propane.
What is the SMILES notation for 1,1,1-trifluoro-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethoxy]propane?
The canonical SMILES for 1,1,1-trifluoro-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethoxy]propane is CC(OCCOC(C)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethoxy]propane?
The InChIKey is YJSAQEVXDJHJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F6O2/c1-5(7(9,10)11)15-3-4-16-6(2)8(12,13)14/h5-6H,3-4H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethoxy]propane?
1,1,1-trifluoro-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethoxy]propane has a molecular weight of 254.17 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethoxy]propane is sourced from PubChem (CID 23524069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).