1,1,1,2,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-2-methoxyethoxy)-3-(2,2,2-trifluoroethoxy)propane

C8H5F13O3 — CID 58076407

IUPAC1,1,1,2,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-2-methoxyethoxy)-3-(2,2,2-trifluoroethoxy)propane
SMILESCOC(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OCC(F)(F)F
InChIInChI=1S/C8H5F13O3/c1-22-7(18,19)8(20,21)24-4(12,5(13,14)15)6(16,17)23-2-3(9,10)11/h2H2,1H3
InChIKeyGXALKGJCEJKVJH-UHFFFAOYSA-N
MW396.10 g/mol
LogP4.23
Rot. Bonds7

About 1,1,1,2,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-2-methoxyethoxy)-3-(2,2,2-trifluoroethoxy)propane

1,1,1,2,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-2-methoxyethoxy)-3-(2,2,2-trifluoroethoxy)propane (PubChem CID 58076407) has the molecular formula C8H5F13O3 and a molecular weight of 396.10 g/mol. Its IUPAC name is 1,1,1,2,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-2-methoxyethoxy)-3-(2,2,2-trifluoroethoxy)propane.

Molecular Properties

Compound Name1,1,1,2,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-2-methoxyethoxy)-3-(2,2,2-trifluoroethoxy)propane
PubChem CID58076407
Molecular FormulaC8H5F13O3
Molecular Weight396.10 g/mol
Exact Mass396.00
IUPAC Name1,1,1,2,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-2-methoxyethoxy)-3-(2,2,2-trifluoroethoxy)propane
SMILESCOC(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OCC(F)(F)F
InChIInChI=1S/C8H5F13O3/c1-22-7(18,19)8(20,21)24-4(12,5(13,14)15)6(16,17)23-2-3(9,10)11/h2H2,1H3
InChIKeyGXALKGJCEJKVJH-UHFFFAOYSA-N
XLogP4.23
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.10
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-2-methoxyethoxy)-3-(2,2,2-trifluoroethoxy)propane?
The IUPAC name of 1,1,1,2,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-2-methoxyethoxy)-3-(2,2,2-trifluoroethoxy)propane (CID 58076407) is 1,1,1,2,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-2-methoxyethoxy)-3-(2,2,2-trifluoroethoxy)propane.
What is the SMILES notation for 1,1,1,2,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-2-methoxyethoxy)-3-(2,2,2-trifluoroethoxy)propane?
The canonical SMILES for 1,1,1,2,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-2-methoxyethoxy)-3-(2,2,2-trifluoroethoxy)propane is COC(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OCC(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-2-methoxyethoxy)-3-(2,2,2-trifluoroethoxy)propane?
The InChIKey is GXALKGJCEJKVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F13O3/c1-22-7(18,19)8(20,21)24-4(12,5(13,14)15)6(16,17)23-2-3(9,10)11/h2H2,1H3.
What are the key properties of 1,1,1,2,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-2-methoxyethoxy)-3-(2,2,2-trifluoroethoxy)propane?
1,1,1,2,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-2-methoxyethoxy)-3-(2,2,2-trifluoroethoxy)propane has a molecular weight of 396.10 g/mol, XLogP of 4.23, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-2-methoxyethoxy)-3-(2,2,2-trifluoroethoxy)propane is sourced from PubChem (CID 58076407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).