2-[2,2,3,3,3-pentafluoro-1-[3,3,4,4,4-pentafluoro-2-(1,1,2,2,2-pentafluoroethyl)but-1-enoxy]propyl]oxirane

C11H5F15O2 — CID 139908405

IUPAC2-[2,2,3,3,3-pentafluoro-1-[3,3,4,4,4-pentafluoro-2-(1,1,2,2,2-pentafluoroethyl)but-1-enoxy]propyl]oxirane
SMILESFC(F)(F)C(F)(F)C(=COC(C1CO1)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H5F15O2/c12-6(13,9(18,19)20)4(7(14,15)10(21,22)23)2-28-5(3-1-27-3)8(16,17)11(24,25)26/h2-3,5H,1H2
InChIKeyJAXHUCUFOWCORA-UHFFFAOYSA-N
MW454.13 g/mol
LogP5.25
Rot. Bonds6

About 2-[2,2,3,3,3-pentafluoro-1-[3,3,4,4,4-pentafluoro-2-(1,1,2,2,2-pentafluoroethyl)but-1-enoxy]propyl]oxirane

2-[2,2,3,3,3-pentafluoro-1-[3,3,4,4,4-pentafluoro-2-(1,1,2,2,2-pentafluoroethyl)but-1-enoxy]propyl]oxirane (PubChem CID 139908405) has the molecular formula C11H5F15O2 and a molecular weight of 454.13 g/mol. Its IUPAC name is 2-[2,2,3,3,3-pentafluoro-1-[3,3,4,4,4-pentafluoro-2-(1,1,2,2,2-pentafluoroethyl)but-1-enoxy]propyl]oxirane.

Molecular Properties

Compound Name2-[2,2,3,3,3-pentafluoro-1-[3,3,4,4,4-pentafluoro-2-(1,1,2,2,2-pentafluoroethyl)but-1-enoxy]propyl]oxirane
PubChem CID139908405
Molecular FormulaC11H5F15O2
Molecular Weight454.13 g/mol
Exact Mass454.01
IUPAC Name2-[2,2,3,3,3-pentafluoro-1-[3,3,4,4,4-pentafluoro-2-(1,1,2,2,2-pentafluoroethyl)but-1-enoxy]propyl]oxirane
SMILESFC(F)(F)C(F)(F)C(=COC(C1CO1)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H5F15O2/c12-6(13,9(18,19)20)4(7(14,15)10(21,22)23)2-28-5(3-1-27-3)8(16,17)11(24,25)26/h2-3,5H,1H2
InChIKeyJAXHUCUFOWCORA-UHFFFAOYSA-N
XLogP5.25
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.13
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-[2,2,3,3,3-pentafluoro-1-[3,3,4,4,4-pentafluoro-2-(1,1,2,2,2-pentafluoroethyl)but-1-enoxy]propyl]oxirane with MolForge

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Related Compounds

2-(2,3,4,4,4-Pentafluoro-1,3-bis-trifluoromethyl-but-1-enyloxymethyl)-oxirane
CID 131738211
2-[2,2,2-Trifluoro-1-[3,3,4,4,4-pentafluoro-2-(trifluoromethyl)but-1-enoxy]ethyl]oxirane
CID 139908397
2-[2,2,2-Trifluoro-1-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enoxy]ethyl]oxirane
CID 139908409
2-[2,2,3,3,3-Pentafluoro-1-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enoxy]propyl]oxirane
CID 139908410

Frequently Asked Questions

What is the IUPAC name of 2-[2,2,3,3,3-pentafluoro-1-[3,3,4,4,4-pentafluoro-2-(1,1,2,2,2-pentafluoroethyl)but-1-enoxy]propyl]oxirane?
The IUPAC name of 2-[2,2,3,3,3-pentafluoro-1-[3,3,4,4,4-pentafluoro-2-(1,1,2,2,2-pentafluoroethyl)but-1-enoxy]propyl]oxirane (CID 139908405) is 2-[2,2,3,3,3-pentafluoro-1-[3,3,4,4,4-pentafluoro-2-(1,1,2,2,2-pentafluoroethyl)but-1-enoxy]propyl]oxirane.
What is the SMILES notation for 2-[2,2,3,3,3-pentafluoro-1-[3,3,4,4,4-pentafluoro-2-(1,1,2,2,2-pentafluoroethyl)but-1-enoxy]propyl]oxirane?
The canonical SMILES for 2-[2,2,3,3,3-pentafluoro-1-[3,3,4,4,4-pentafluoro-2-(1,1,2,2,2-pentafluoroethyl)but-1-enoxy]propyl]oxirane is FC(F)(F)C(F)(F)C(=COC(C1CO1)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-[2,2,3,3,3-pentafluoro-1-[3,3,4,4,4-pentafluoro-2-(1,1,2,2,2-pentafluoroethyl)but-1-enoxy]propyl]oxirane?
The InChIKey is JAXHUCUFOWCORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F15O2/c12-6(13,9(18,19)20)4(7(14,15)10(21,22)23)2-28-5(3-1-27-3)8(16,17)11(24,25)26/h2-3,5H,1H2.
What are the key properties of 2-[2,2,3,3,3-pentafluoro-1-[3,3,4,4,4-pentafluoro-2-(1,1,2,2,2-pentafluoroethyl)but-1-enoxy]propyl]oxirane?
2-[2,2,3,3,3-pentafluoro-1-[3,3,4,4,4-pentafluoro-2-(1,1,2,2,2-pentafluoroethyl)but-1-enoxy]propyl]oxirane has a molecular weight of 454.13 g/mol, XLogP of 5.25, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2,3,3,3-pentafluoro-1-[3,3,4,4,4-pentafluoro-2-(1,1,2,2,2-pentafluoroethyl)but-1-enoxy]propyl]oxirane is sourced from PubChem (CID 139908405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).