5-(2-ethenoxyethoxy)-1,1,1,2,2,3,3,4,4-nonafluoropentane

C9H9F9O2 — CID 71441089

IUPAC5-(2-ethenoxyethoxy)-1,1,1,2,2,3,3,4,4-nonafluoropentane
SMILESC=COCCOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H9F9O2/c1-2-19-3-4-20-5-6(10,11)7(12,13)8(14,15)9(16,17)18/h2H,1,3-5H2
InChIKeyWHWUDHFQFAKLSZ-UHFFFAOYSA-N
MW320.15 g/mol
LogP3.63
Rot. Bonds8

About 5-(2-ethenoxyethoxy)-1,1,1,2,2,3,3,4,4-nonafluoropentane

5-(2-ethenoxyethoxy)-1,1,1,2,2,3,3,4,4-nonafluoropentane (PubChem CID 71441089) has the molecular formula C9H9F9O2 and a molecular weight of 320.15 g/mol. Its IUPAC name is 5-(2-ethenoxyethoxy)-1,1,1,2,2,3,3,4,4-nonafluoropentane.

Molecular Properties

Compound Name5-(2-ethenoxyethoxy)-1,1,1,2,2,3,3,4,4-nonafluoropentane
PubChem CID71441089
Molecular FormulaC9H9F9O2
Molecular Weight320.15 g/mol
Exact Mass320.05
IUPAC Name5-(2-ethenoxyethoxy)-1,1,1,2,2,3,3,4,4-nonafluoropentane
SMILESC=COCCOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H9F9O2/c1-2-19-3-4-20-5-6(10,11)7(12,13)8(14,15)9(16,17)18/h2H,1,3-5H2
InChIKeyWHWUDHFQFAKLSZ-UHFFFAOYSA-N
XLogP3.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.15
LogP ≤ 53.63
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 5-(2-ethenoxyethoxy)-1,1,1,2,2,3,3,4,4-nonafluoropentane?
The IUPAC name of 5-(2-ethenoxyethoxy)-1,1,1,2,2,3,3,4,4-nonafluoropentane (CID 71441089) is 5-(2-ethenoxyethoxy)-1,1,1,2,2,3,3,4,4-nonafluoropentane.
What is the SMILES notation for 5-(2-ethenoxyethoxy)-1,1,1,2,2,3,3,4,4-nonafluoropentane?
The canonical SMILES for 5-(2-ethenoxyethoxy)-1,1,1,2,2,3,3,4,4-nonafluoropentane is C=COCCOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 5-(2-ethenoxyethoxy)-1,1,1,2,2,3,3,4,4-nonafluoropentane?
The InChIKey is WHWUDHFQFAKLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F9O2/c1-2-19-3-4-20-5-6(10,11)7(12,13)8(14,15)9(16,17)18/h2H,1,3-5H2.
What are the key properties of 5-(2-ethenoxyethoxy)-1,1,1,2,2,3,3,4,4-nonafluoropentane?
5-(2-ethenoxyethoxy)-1,1,1,2,2,3,3,4,4-nonafluoropentane has a molecular weight of 320.15 g/mol, XLogP of 3.63, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethenoxyethoxy)-1,1,1,2,2,3,3,4,4-nonafluoropentane is sourced from PubChem (CID 71441089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).