1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononane

C11H5F19O — CID 87276999

IUPAC1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononane
SMILESCCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H5F19O/c1-2-31-11(29,30)9(24,25)7(20,21)5(16,17)3(12,13)4(14,15)6(18,19)8(22,23)10(26,27)28/h2H2,1H3
InChIKeyRXYHUYCJCHQJNU-UHFFFAOYSA-N
MW514.12 g/mol
LogP6.63
Rot. Bonds9

About 1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononane

1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononane (PubChem CID 87276999) has the molecular formula C11H5F19O and a molecular weight of 514.12 g/mol. Its IUPAC name is 1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononane.

Molecular Properties

Compound Name1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononane
PubChem CID87276999
Molecular FormulaC11H5F19O
Molecular Weight514.12 g/mol
Exact Mass514.00
IUPAC Name1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononane
SMILESCCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H5F19O/c1-2-31-11(29,30)9(24,25)7(20,21)5(16,17)3(12,13)4(14,15)6(18,19)8(22,23)10(26,27)28/h2H2,1H3
InChIKeyRXYHUYCJCHQJNU-UHFFFAOYSA-N
XLogP6.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.12
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononane?
The IUPAC name of 1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononane (CID 87276999) is 1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononane.
What is the SMILES notation for 1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononane?
The canonical SMILES for 1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononane is CCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononane?
The InChIKey is RXYHUYCJCHQJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F19O/c1-2-31-11(29,30)9(24,25)7(20,21)5(16,17)3(12,13)4(14,15)6(18,19)8(22,23)10(26,27)28/h2H2,1H3.
What are the key properties of 1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononane?
1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononane has a molecular weight of 514.12 g/mol, XLogP of 6.63, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononane is sourced from PubChem (CID 87276999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).