ethyl 2,2,6,6,7,7,8,8,9,9,9-undecafluorononanoate

C11H11F11O2 — CID 19082567

IUPACethyl 2,2,6,6,7,7,8,8,9,9,9-undecafluorononanoate
SMILESCCOC(=O)C(F)(F)CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H11F11O2/c1-2-24-6(23)7(12,13)4-3-5-8(14,15)9(16,17)10(18,19)11(20,21)22/h2-5H2,1H3
InChIKeyUNYJUFNFFPGVQB-UHFFFAOYSA-N
MW384.19 g/mol
LogP4.82
Rot. Bonds8

About ethyl 2,2,6,6,7,7,8,8,9,9,9-undecafluorononanoate

ethyl 2,2,6,6,7,7,8,8,9,9,9-undecafluorononanoate (PubChem CID 19082567) has the molecular formula C11H11F11O2 and a molecular weight of 384.19 g/mol. Its IUPAC name is ethyl 2,2,6,6,7,7,8,8,9,9,9-undecafluorononanoate.

Molecular Properties

Compound Nameethyl 2,2,6,6,7,7,8,8,9,9,9-undecafluorononanoate
PubChem CID19082567
Molecular FormulaC11H11F11O2
Molecular Weight384.19 g/mol
Exact Mass384.06
IUPAC Nameethyl 2,2,6,6,7,7,8,8,9,9,9-undecafluorononanoate
SMILESCCOC(=O)C(F)(F)CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H11F11O2/c1-2-24-6(23)7(12,13)4-3-5-8(14,15)9(16,17)10(18,19)11(20,21)22/h2-5H2,1H3
InChIKeyUNYJUFNFFPGVQB-UHFFFAOYSA-N
XLogP4.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.19
LogP ≤ 54.82
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 ethyl 2,2,6,6,7,7,8,8,9,9,9-undecafluorononanoate?
The IUPAC name of ethyl 2,2,6,6,7,7,8,8,9,9,9-undecafluorononanoate (CID 19082567) is ethyl 2,2,6,6,7,7,8,8,9,9,9-undecafluorononanoate.
What is the SMILES notation for ethyl 2,2,6,6,7,7,8,8,9,9,9-undecafluorononanoate?
The canonical SMILES for ethyl 2,2,6,6,7,7,8,8,9,9,9-undecafluorononanoate is CCOC(=O)C(F)(F)CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of ethyl 2,2,6,6,7,7,8,8,9,9,9-undecafluorononanoate?
The InChIKey is UNYJUFNFFPGVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F11O2/c1-2-24-6(23)7(12,13)4-3-5-8(14,15)9(16,17)10(18,19)11(20,21)22/h2-5H2,1H3.
What are the key properties of ethyl 2,2,6,6,7,7,8,8,9,9,9-undecafluorononanoate?
ethyl 2,2,6,6,7,7,8,8,9,9,9-undecafluorononanoate has a molecular weight of 384.19 g/mol, XLogP of 4.82, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2,6,6,7,7,8,8,9,9,9-undecafluorononanoate is sourced from PubChem (CID 19082567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).