1,1,1,2,3,3-hexafluoro-3-[2,2,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethoxy]propane

C7H4F12O2 — CID 44599462

IUPAC1,1,1,2,3,3-hexafluoro-3-[2,2,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethoxy]propane
SMILESFC(C(F)(F)F)C(F)(F)OC(OCC(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H4F12O2/c8-2(5(12,13)14)7(18,19)21-3(6(15,16)17)20-1-4(9,10)11/h2-3H,1H2
InChIKeySVOWYNZTWGLWOZ-UHFFFAOYSA-N
MW348.08 g/mol
LogP3.96
Rot. Bonds5

About 1,1,1,2,3,3-hexafluoro-3-[2,2,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethoxy]propane

1,1,1,2,3,3-hexafluoro-3-[2,2,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethoxy]propane (PubChem CID 44599462) has the molecular formula C7H4F12O2 and a molecular weight of 348.08 g/mol. Its IUPAC name is 1,1,1,2,3,3-hexafluoro-3-[2,2,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethoxy]propane.

Molecular Properties

Compound Name1,1,1,2,3,3-hexafluoro-3-[2,2,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethoxy]propane
PubChem CID44599462
Molecular FormulaC7H4F12O2
Molecular Weight348.08 g/mol
Exact Mass348.00
IUPAC Name1,1,1,2,3,3-hexafluoro-3-[2,2,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethoxy]propane
SMILESFC(C(F)(F)F)C(F)(F)OC(OCC(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H4F12O2/c8-2(5(12,13)14)7(18,19)21-3(6(15,16)17)20-1-4(9,10)11/h2-3H,1H2
InChIKeySVOWYNZTWGLWOZ-UHFFFAOYSA-N
XLogP3.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.08
LogP ≤ 53.96
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 1,1,1,2,3,3-hexafluoro-3-[2,2,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethoxy]propane?
The IUPAC name of 1,1,1,2,3,3-hexafluoro-3-[2,2,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethoxy]propane (CID 44599462) is 1,1,1,2,3,3-hexafluoro-3-[2,2,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethoxy]propane.
What is the SMILES notation for 1,1,1,2,3,3-hexafluoro-3-[2,2,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethoxy]propane?
The canonical SMILES for 1,1,1,2,3,3-hexafluoro-3-[2,2,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethoxy]propane is FC(C(F)(F)F)C(F)(F)OC(OCC(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3-hexafluoro-3-[2,2,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethoxy]propane?
The InChIKey is SVOWYNZTWGLWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F12O2/c8-2(5(12,13)14)7(18,19)21-3(6(15,16)17)20-1-4(9,10)11/h2-3H,1H2.
What are the key properties of 1,1,1,2,3,3-hexafluoro-3-[2,2,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethoxy]propane?
1,1,1,2,3,3-hexafluoro-3-[2,2,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethoxy]propane has a molecular weight of 348.08 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3-hexafluoro-3-[2,2,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethoxy]propane is sourced from PubChem (CID 44599462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).