1,1,1,3,3,4,4,5,5,6,6-undecafluoro-9-methoxy-2-(trifluoromethyl)nonane

C11H10F14O — CID 172565191

IUPAC1,1,1,3,3,4,4,5,5,6,6-undecafluoro-9-methoxy-2-(trifluoromethyl)nonane
SMILESCOCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H10F14O/c1-26-4-2-3-6(12,13)10(22,23)11(24,25)7(14,15)5(8(16,17)18)9(19,20)21/h5H,2-4H2,1H3
InChIKeyGSWQULCFSJZZDJ-UHFFFAOYSA-N
MW424.17 g/mol
LogP5.70
Rot. Bonds8

About 1,1,1,3,3,4,4,5,5,6,6-undecafluoro-9-methoxy-2-(trifluoromethyl)nonane

1,1,1,3,3,4,4,5,5,6,6-undecafluoro-9-methoxy-2-(trifluoromethyl)nonane (PubChem CID 172565191) has the molecular formula C11H10F14O and a molecular weight of 424.17 g/mol. Its IUPAC name is 1,1,1,3,3,4,4,5,5,6,6-undecafluoro-9-methoxy-2-(trifluoromethyl)nonane.

Molecular Properties

Compound Name1,1,1,3,3,4,4,5,5,6,6-undecafluoro-9-methoxy-2-(trifluoromethyl)nonane
PubChem CID172565191
Molecular FormulaC11H10F14O
Molecular Weight424.17 g/mol
Exact Mass424.05
IUPAC Name1,1,1,3,3,4,4,5,5,6,6-undecafluoro-9-methoxy-2-(trifluoromethyl)nonane
SMILESCOCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H10F14O/c1-26-4-2-3-6(12,13)10(22,23)11(24,25)7(14,15)5(8(16,17)18)9(19,20)21/h5H,2-4H2,1H3
InChIKeyGSWQULCFSJZZDJ-UHFFFAOYSA-N
XLogP5.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.17
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 1,1,1,3,3,4,4,5,5,6,6-undecafluoro-9-methoxy-2-(trifluoromethyl)nonane?
The IUPAC name of 1,1,1,3,3,4,4,5,5,6,6-undecafluoro-9-methoxy-2-(trifluoromethyl)nonane (CID 172565191) is 1,1,1,3,3,4,4,5,5,6,6-undecafluoro-9-methoxy-2-(trifluoromethyl)nonane.
What is the SMILES notation for 1,1,1,3,3,4,4,5,5,6,6-undecafluoro-9-methoxy-2-(trifluoromethyl)nonane?
The canonical SMILES for 1,1,1,3,3,4,4,5,5,6,6-undecafluoro-9-methoxy-2-(trifluoromethyl)nonane is COCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,4,4,5,5,6,6-undecafluoro-9-methoxy-2-(trifluoromethyl)nonane?
The InChIKey is GSWQULCFSJZZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F14O/c1-26-4-2-3-6(12,13)10(22,23)11(24,25)7(14,15)5(8(16,17)18)9(19,20)21/h5H,2-4H2,1H3.
What are the key properties of 1,1,1,3,3,4,4,5,5,6,6-undecafluoro-9-methoxy-2-(trifluoromethyl)nonane?
1,1,1,3,3,4,4,5,5,6,6-undecafluoro-9-methoxy-2-(trifluoromethyl)nonane has a molecular weight of 424.17 g/mol, XLogP of 5.70, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,4,4,5,5,6,6-undecafluoro-9-methoxy-2-(trifluoromethyl)nonane is sourced from PubChem (CID 172565191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).