1,1,2,2-tetrafluoro-1-(2-fluoroethoxy)-3-(1,1,2-trifluoroprop-2-enoxy)propane

C8H8F8O2 — CID 59559041

IUPAC1,1,2,2-tetrafluoro-1-(2-fluoroethoxy)-3-(1,1,2-trifluoroprop-2-enoxy)propane
SMILESC=C(F)C(F)(F)OCC(F)(F)C(F)(F)OCCF
InChIInChI=1S/C8H8F8O2/c1-5(10)7(13,14)18-4-6(11,12)8(15,16)17-3-2-9/h1-4H2
InChIKeyKWMFRDOMFJOEOH-UHFFFAOYSA-N
MW288.13 g/mol
LogP3.29
Rot. Bonds8

About 1,1,2,2-tetrafluoro-1-(2-fluoroethoxy)-3-(1,1,2-trifluoroprop-2-enoxy)propane

1,1,2,2-tetrafluoro-1-(2-fluoroethoxy)-3-(1,1,2-trifluoroprop-2-enoxy)propane (PubChem CID 59559041) has the molecular formula C8H8F8O2 and a molecular weight of 288.13 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-1-(2-fluoroethoxy)-3-(1,1,2-trifluoroprop-2-enoxy)propane.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-1-(2-fluoroethoxy)-3-(1,1,2-trifluoroprop-2-enoxy)propane
PubChem CID59559041
Molecular FormulaC8H8F8O2
Molecular Weight288.13 g/mol
Exact Mass288.04
IUPAC Name1,1,2,2-tetrafluoro-1-(2-fluoroethoxy)-3-(1,1,2-trifluoroprop-2-enoxy)propane
SMILESC=C(F)C(F)(F)OCC(F)(F)C(F)(F)OCCF
InChIInChI=1S/C8H8F8O2/c1-5(10)7(13,14)18-4-6(11,12)8(15,16)17-3-2-9/h1-4H2
InChIKeyKWMFRDOMFJOEOH-UHFFFAOYSA-N
XLogP3.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.13
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1,1,2,2-tetrafluoro-1-(2-fluoroethoxy)-3-(1,1,2-trifluoroprop-2-enoxy)propane?
The IUPAC name of 1,1,2,2-tetrafluoro-1-(2-fluoroethoxy)-3-(1,1,2-trifluoroprop-2-enoxy)propane (CID 59559041) is 1,1,2,2-tetrafluoro-1-(2-fluoroethoxy)-3-(1,1,2-trifluoroprop-2-enoxy)propane.
What is the SMILES notation for 1,1,2,2-tetrafluoro-1-(2-fluoroethoxy)-3-(1,1,2-trifluoroprop-2-enoxy)propane?
The canonical SMILES for 1,1,2,2-tetrafluoro-1-(2-fluoroethoxy)-3-(1,1,2-trifluoroprop-2-enoxy)propane is C=C(F)C(F)(F)OCC(F)(F)C(F)(F)OCCF.
What is the InChIKey of 1,1,2,2-tetrafluoro-1-(2-fluoroethoxy)-3-(1,1,2-trifluoroprop-2-enoxy)propane?
The InChIKey is KWMFRDOMFJOEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F8O2/c1-5(10)7(13,14)18-4-6(11,12)8(15,16)17-3-2-9/h1-4H2.
What are the key properties of 1,1,2,2-tetrafluoro-1-(2-fluoroethoxy)-3-(1,1,2-trifluoroprop-2-enoxy)propane?
1,1,2,2-tetrafluoro-1-(2-fluoroethoxy)-3-(1,1,2-trifluoroprop-2-enoxy)propane has a molecular weight of 288.13 g/mol, XLogP of 3.29, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoro-1-(2-fluoroethoxy)-3-(1,1,2-trifluoroprop-2-enoxy)propane is sourced from PubChem (CID 59559041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).