8-(2-ethenoxyethoxy)-1,1,1,2,3,3,4,4,5,5,6,6-dodecafluoro-2-(trifluoromethyl)octane

C13H11F15O2 — CID 58825812

IUPAC8-(2-ethenoxyethoxy)-1,1,1,2,3,3,4,4,5,5,6,6-dodecafluoro-2-(trifluoromethyl)octane
SMILESC=COCCOCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H11F15O2/c1-2-29-5-6-30-4-3-7(14,15)9(17,18)11(21,22)10(19,20)8(16,12(23,24)25)13(26,27)28/h2H,1,3-6H2
InChIKeyWSOSCJATTXCRHG-UHFFFAOYSA-N
MW484.20 g/mol
LogP5.93
Rot. Bonds11

About 8-(2-ethenoxyethoxy)-1,1,1,2,3,3,4,4,5,5,6,6-dodecafluoro-2-(trifluoromethyl)octane

8-(2-ethenoxyethoxy)-1,1,1,2,3,3,4,4,5,5,6,6-dodecafluoro-2-(trifluoromethyl)octane (PubChem CID 58825812) has the molecular formula C13H11F15O2 and a molecular weight of 484.20 g/mol. Its IUPAC name is 8-(2-ethenoxyethoxy)-1,1,1,2,3,3,4,4,5,5,6,6-dodecafluoro-2-(trifluoromethyl)octane.

Molecular Properties

Compound Name8-(2-ethenoxyethoxy)-1,1,1,2,3,3,4,4,5,5,6,6-dodecafluoro-2-(trifluoromethyl)octane
PubChem CID58825812
Molecular FormulaC13H11F15O2
Molecular Weight484.20 g/mol
Exact Mass484.05
IUPAC Name8-(2-ethenoxyethoxy)-1,1,1,2,3,3,4,4,5,5,6,6-dodecafluoro-2-(trifluoromethyl)octane
SMILESC=COCCOCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H11F15O2/c1-2-29-5-6-30-4-3-7(14,15)9(17,18)11(21,22)10(19,20)8(16,12(23,24)25)13(26,27)28/h2H,1,3-6H2
InChIKeyWSOSCJATTXCRHG-UHFFFAOYSA-N
XLogP5.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.20
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(2-ethenoxyethoxy)-1,1,1,2,3,3,4,4,5,5,6,6-dodecafluoro-2-(trifluoromethyl)octane?
The IUPAC name of 8-(2-ethenoxyethoxy)-1,1,1,2,3,3,4,4,5,5,6,6-dodecafluoro-2-(trifluoromethyl)octane (CID 58825812) is 8-(2-ethenoxyethoxy)-1,1,1,2,3,3,4,4,5,5,6,6-dodecafluoro-2-(trifluoromethyl)octane.
What is the SMILES notation for 8-(2-ethenoxyethoxy)-1,1,1,2,3,3,4,4,5,5,6,6-dodecafluoro-2-(trifluoromethyl)octane?
The canonical SMILES for 8-(2-ethenoxyethoxy)-1,1,1,2,3,3,4,4,5,5,6,6-dodecafluoro-2-(trifluoromethyl)octane is C=COCCOCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 8-(2-ethenoxyethoxy)-1,1,1,2,3,3,4,4,5,5,6,6-dodecafluoro-2-(trifluoromethyl)octane?
The InChIKey is WSOSCJATTXCRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F15O2/c1-2-29-5-6-30-4-3-7(14,15)9(17,18)11(21,22)10(19,20)8(16,12(23,24)25)13(26,27)28/h2H,1,3-6H2.
What are the key properties of 8-(2-ethenoxyethoxy)-1,1,1,2,3,3,4,4,5,5,6,6-dodecafluoro-2-(trifluoromethyl)octane?
8-(2-ethenoxyethoxy)-1,1,1,2,3,3,4,4,5,5,6,6-dodecafluoro-2-(trifluoromethyl)octane has a molecular weight of 484.20 g/mol, XLogP of 5.93, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-ethenoxyethoxy)-1,1,1,2,3,3,4,4,5,5,6,6-dodecafluoro-2-(trifluoromethyl)octane is sourced from PubChem (CID 58825812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).