2-[[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxymethyl]oxirane

C9H5F11O2 — CID 11164047

IUPAC2-[[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxymethyl]oxirane
SMILESFC(F)(F)C(=C(OCC1CO1)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H5F11O2/c10-6(11,9(18,19)20)5(22-2-3-1-21-3)4(7(12,13)14)8(15,16)17/h3H,1-2H2
InChIKeyRNGCLMCGFMZPLT-UHFFFAOYSA-N
MW354.12 g/mol
LogP3.98
Rot. Bonds4

About 2-[[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxymethyl]oxirane

2-[[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxymethyl]oxirane (PubChem CID 11164047) has the molecular formula C9H5F11O2 and a molecular weight of 354.12 g/mol. Its IUPAC name is 2-[[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxymethyl]oxirane.

Molecular Properties

Compound Name2-[[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxymethyl]oxirane
PubChem CID11164047
Molecular FormulaC9H5F11O2
Molecular Weight354.12 g/mol
Exact Mass354.01
IUPAC Name2-[[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxymethyl]oxirane
SMILESFC(F)(F)C(=C(OCC1CO1)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H5F11O2/c10-6(11,9(18,19)20)5(22-2-3-1-21-3)4(7(12,13)14)8(15,16)17/h3H,1-2H2
InChIKeyRNGCLMCGFMZPLT-UHFFFAOYSA-N
XLogP3.98
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.12
LogP ≤ 53.98
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxymethyl]oxirane?
The IUPAC name of 2-[[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxymethyl]oxirane (CID 11164047) is 2-[[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxymethyl]oxirane.
What is the SMILES notation for 2-[[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxymethyl]oxirane?
The canonical SMILES for 2-[[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxymethyl]oxirane is FC(F)(F)C(=C(OCC1CO1)C(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxymethyl]oxirane?
The InChIKey is RNGCLMCGFMZPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F11O2/c10-6(11,9(18,19)20)5(22-2-3-1-21-3)4(7(12,13)14)8(15,16)17/h3H,1-2H2.
What are the key properties of 2-[[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxymethyl]oxirane?
2-[[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxymethyl]oxirane has a molecular weight of 354.12 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxymethyl]oxirane is sourced from PubChem (CID 11164047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).