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

C12H9F13O4 — CID 57243288

IUPAC2-[[2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propoxy]methyl]oxirane
SMILESC=C(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(COCC1CO1)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)4-26-2-6-3-27-6/h6H,1-4H2
InChIKeySBXJVVJCTQAWKK-UHFFFAOYSA-N
MW464.17 g/mol
LogP4.56
Rot. Bonds10

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

2-[[2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propoxy]methyl]oxirane (PubChem CID 57243288) 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]methyl]oxirane.

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]methyl]oxirane
PubChem CID57243288
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]methyl]oxirane
SMILESC=C(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(COCC1CO1)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)4-26-2-6-3-27-6/h6H,1-4H2
InChIKeySBXJVVJCTQAWKK-UHFFFAOYSA-N
XLogP4.56
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.17
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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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]methyl]oxirane?
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]methyl]oxirane (CID 57243288) is 2-[[2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propoxy]methyl]oxirane.
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]methyl]oxirane?
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]methyl]oxirane is C=C(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(COCC1CO1)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]methyl]oxirane?
The InChIKey is SBXJVVJCTQAWKK-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)4-26-2-6-3-27-6/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]methyl]oxirane?
2-[[2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propoxy]methyl]oxirane has a molecular weight of 464.17 g/mol, XLogP of 4.56, 10 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]methyl]oxirane is sourced from PubChem (CID 57243288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).