2-(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)oxane

C11H13F9O2 — CID 18927752

IUPAC2-(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)oxane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOC1CCCCO1
InChIInChI=1S/C11H13F9O2/c12-8(13,4-6-22-7-3-1-2-5-21-7)9(14,15)10(16,17)11(18,19)20/h7H,1-6H2
InChIKeyQJWYKHOBYXSSMA-UHFFFAOYSA-N
MW348.21 g/mol
LogP4.39
Rot. Bonds6

About 2-(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)oxane

2-(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)oxane (PubChem CID 18927752) has the molecular formula C11H13F9O2 and a molecular weight of 348.21 g/mol. Its IUPAC name is 2-(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)oxane.

Molecular Properties

Compound Name2-(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)oxane
PubChem CID18927752
Molecular FormulaC11H13F9O2
Molecular Weight348.21 g/mol
Exact Mass348.08
IUPAC Name2-(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)oxane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOC1CCCCO1
InChIInChI=1S/C11H13F9O2/c12-8(13,4-6-22-7-3-1-2-5-21-7)9(14,15)10(16,17)11(18,19)20/h7H,1-6H2
InChIKeyQJWYKHOBYXSSMA-UHFFFAOYSA-N
XLogP4.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.21
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)oxane?
The IUPAC name of 2-(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)oxane (CID 18927752) is 2-(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)oxane.
What is the SMILES notation for 2-(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)oxane?
The canonical SMILES for 2-(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)oxane is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOC1CCCCO1.
What is the InChIKey of 2-(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)oxane?
The InChIKey is QJWYKHOBYXSSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F9O2/c12-8(13,4-6-22-7-3-1-2-5-21-7)9(14,15)10(16,17)11(18,19)20/h7H,1-6H2.
What are the key properties of 2-(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)oxane?
2-(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)oxane has a molecular weight of 348.21 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)oxane is sourced from PubChem (CID 18927752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).