4,4,6,6,7,7,8,8,9,9,9-undecafluoro-1-morpholin-4-ylnonan-2-ol

C13H16F11NO2 — CID 58855406

IUPAC4,4,6,6,7,7,8,8,9,9,9-undecafluoro-1-morpholin-4-ylnonan-2-ol
SMILESOC(CN1CCOCC1)CC(F)(F)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H16F11NO2/c14-9(15,5-8(26)6-25-1-3-27-4-2-25)7-10(16,17)11(18,19)12(20,21)13(22,23)24/h8,26H,1-7H2
InChIKeyVEMXKAQPJFXNNU-UHFFFAOYSA-N
MW427.25 g/mol
LogP3.56
Rot. Bonds8

About 4,4,6,6,7,7,8,8,9,9,9-undecafluoro-1-morpholin-4-ylnonan-2-ol

4,4,6,6,7,7,8,8,9,9,9-undecafluoro-1-morpholin-4-ylnonan-2-ol (PubChem CID 58855406) has the molecular formula C13H16F11NO2 and a molecular weight of 427.25 g/mol. Its IUPAC name is 4,4,6,6,7,7,8,8,9,9,9-undecafluoro-1-morpholin-4-ylnonan-2-ol.

Molecular Properties

Compound Name4,4,6,6,7,7,8,8,9,9,9-undecafluoro-1-morpholin-4-ylnonan-2-ol
PubChem CID58855406
Molecular FormulaC13H16F11NO2
Molecular Weight427.25 g/mol
Exact Mass427.10
IUPAC Name4,4,6,6,7,7,8,8,9,9,9-undecafluoro-1-morpholin-4-ylnonan-2-ol
SMILESOC(CN1CCOCC1)CC(F)(F)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H16F11NO2/c14-9(15,5-8(26)6-25-1-3-27-4-2-25)7-10(16,17)11(18,19)12(20,21)13(22,23)24/h8,26H,1-7H2
InChIKeyVEMXKAQPJFXNNU-UHFFFAOYSA-N
XLogP3.56
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.25
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4,4,6,6,7,7,8,8,9,9,9-undecafluoro-1-morpholin-4-ylnonan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,4,6,6,7,7,8,8,9,9,9-undecafluoro-1-morpholin-4-ylnonan-2-ol?
The IUPAC name of 4,4,6,6,7,7,8,8,9,9,9-undecafluoro-1-morpholin-4-ylnonan-2-ol (CID 58855406) is 4,4,6,6,7,7,8,8,9,9,9-undecafluoro-1-morpholin-4-ylnonan-2-ol.
What is the SMILES notation for 4,4,6,6,7,7,8,8,9,9,9-undecafluoro-1-morpholin-4-ylnonan-2-ol?
The canonical SMILES for 4,4,6,6,7,7,8,8,9,9,9-undecafluoro-1-morpholin-4-ylnonan-2-ol is OC(CN1CCOCC1)CC(F)(F)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 4,4,6,6,7,7,8,8,9,9,9-undecafluoro-1-morpholin-4-ylnonan-2-ol?
The InChIKey is VEMXKAQPJFXNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F11NO2/c14-9(15,5-8(26)6-25-1-3-27-4-2-25)7-10(16,17)11(18,19)12(20,21)13(22,23)24/h8,26H,1-7H2.
What are the key properties of 4,4,6,6,7,7,8,8,9,9,9-undecafluoro-1-morpholin-4-ylnonan-2-ol?
4,4,6,6,7,7,8,8,9,9,9-undecafluoro-1-morpholin-4-ylnonan-2-ol has a molecular weight of 427.25 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6,6,7,7,8,8,9,9,9-undecafluoro-1-morpholin-4-ylnonan-2-ol is sourced from PubChem (CID 58855406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).