2,2,3,3,4,4,5,5,5-nonafluoro-N-(2-morpholin-4-ylethyl)pentanamide

C11H13F9N2O2 — CID 4295691

IUPAC2,2,3,3,4,4,5,5,5-nonafluoro-N-(2-morpholin-4-ylethyl)pentanamide
SMILESO=C(NCCN1CCOCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H13F9N2O2/c12-8(13,9(14,15)10(16,17)11(18,19)20)7(23)21-1-2-22-3-5-24-6-4-22/h1-6H2,(H,21,23)
InChIKeyOYKPEBLYBJNWIP-UHFFFAOYSA-N
MW376.22 g/mol
LogP1.90
Rot. Bonds6

About 2,2,3,3,4,4,5,5,5-nonafluoro-N-(2-morpholin-4-ylethyl)pentanamide

2,2,3,3,4,4,5,5,5-nonafluoro-N-(2-morpholin-4-ylethyl)pentanamide (PubChem CID 4295691) has the molecular formula C11H13F9N2O2 and a molecular weight of 376.22 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,5-nonafluoro-N-(2-morpholin-4-ylethyl)pentanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,5-nonafluoro-N-(2-morpholin-4-ylethyl)pentanamide
PubChem CID4295691
Molecular FormulaC11H13F9N2O2
Molecular Weight376.22 g/mol
Exact Mass376.08
IUPAC Name2,2,3,3,4,4,5,5,5-nonafluoro-N-(2-morpholin-4-ylethyl)pentanamide
SMILESO=C(NCCN1CCOCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H13F9N2O2/c12-8(13,9(14,15)10(16,17)11(18,19)20)7(23)21-1-2-22-3-5-24-6-4-22/h1-6H2,(H,21,23)
InChIKeyOYKPEBLYBJNWIP-UHFFFAOYSA-N
XLogP1.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.22
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2,3,3,4,4,5,5,5-nonafluoro-N-(2-morpholin-4-ylethyl)pentanamide 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 2,2,3,3,4,4,5,5,5-nonafluoro-N-(2-morpholin-4-ylethyl)pentanamide?
The IUPAC name of 2,2,3,3,4,4,5,5,5-nonafluoro-N-(2-morpholin-4-ylethyl)pentanamide (CID 4295691) is 2,2,3,3,4,4,5,5,5-nonafluoro-N-(2-morpholin-4-ylethyl)pentanamide.
What is the SMILES notation for 2,2,3,3,4,4,5,5,5-nonafluoro-N-(2-morpholin-4-ylethyl)pentanamide?
The canonical SMILES for 2,2,3,3,4,4,5,5,5-nonafluoro-N-(2-morpholin-4-ylethyl)pentanamide is O=C(NCCN1CCOCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,5-nonafluoro-N-(2-morpholin-4-ylethyl)pentanamide?
The InChIKey is OYKPEBLYBJNWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F9N2O2/c12-8(13,9(14,15)10(16,17)11(18,19)20)7(23)21-1-2-22-3-5-24-6-4-22/h1-6H2,(H,21,23).
What are the key properties of 2,2,3,3,4,4,5,5,5-nonafluoro-N-(2-morpholin-4-ylethyl)pentanamide?
2,2,3,3,4,4,5,5,5-nonafluoro-N-(2-morpholin-4-ylethyl)pentanamide has a molecular weight of 376.22 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,5-nonafluoro-N-(2-morpholin-4-ylethyl)pentanamide is sourced from PubChem (CID 4295691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).