2-[2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propoxy]oxetane

C12H9F13O4 — CID 59559046

IUPAC2-[2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propoxy]oxetane
SMILESC=C(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(COC1CCO1)C(F)(F)F
InChIInChI=1S/C12H9F13O4/c1-5(13)8(15,16)29-9(17,11(21,22)23)12(24,25)28-7(14,10(18,19)20)4-27-6-2-3-26-6/h6H,1-4H2
InChIKeyLVNQTRRMVFAQRN-UHFFFAOYSA-N
MW464.17 g/mol
LogP4.91
Rot. Bonds9

About 2-[2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propoxy]oxetane

2-[2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propoxy]oxetane (PubChem CID 59559046) has the molecular formula C12H9F13O4 and a molecular weight of 464.17 g/mol. Its IUPAC name is 2-[2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propoxy]oxetane.

Molecular Properties

Compound Name2-[2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propoxy]oxetane
PubChem CID59559046
Molecular FormulaC12H9F13O4
Molecular Weight464.17 g/mol
Exact Mass464.03
IUPAC Name2-[2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propoxy]oxetane
SMILESC=C(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(COC1CCO1)C(F)(F)F
InChIInChI=1S/C12H9F13O4/c1-5(13)8(15,16)29-9(17,11(21,22)23)12(24,25)28-7(14,10(18,19)20)4-27-6-2-3-26-6/h6H,1-4H2
InChIKeyLVNQTRRMVFAQRN-UHFFFAOYSA-N
XLogP4.91
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.17
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propoxy]oxetane?
The IUPAC name of 2-[2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propoxy]oxetane (CID 59559046) is 2-[2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propoxy]oxetane.
What is the SMILES notation for 2-[2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propoxy]oxetane?
The canonical SMILES for 2-[2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propoxy]oxetane is C=C(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(COC1CCO1)C(F)(F)F.
What is the InChIKey of 2-[2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propoxy]oxetane?
The InChIKey is LVNQTRRMVFAQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F13O4/c1-5(13)8(15,16)29-9(17,11(21,22)23)12(24,25)28-7(14,10(18,19)20)4-27-6-2-3-26-6/h6H,1-4H2.
What are the key properties of 2-[2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propoxy]oxetane?
2-[2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propoxy]oxetane has a molecular weight of 464.17 g/mol, XLogP of 4.91, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propoxy]oxetane is sourced from PubChem (CID 59559046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).