2,2,3,3,4,4,5,5,5-nonafluoro-N-morpholin-4-ylpentanamide

C9H9F9N2O2 — CID 4603368

IUPAC2,2,3,3,4,4,5,5,5-nonafluoro-N-morpholin-4-ylpentanamide
SMILESO=C(NN1CCOCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H9F9N2O2/c10-6(11,5(21)19-20-1-3-22-4-2-20)7(12,13)8(14,15)9(16,17)18/h1-4H2,(H,19,21)
InChIKeyVGPRURRHRMEASH-UHFFFAOYSA-N
MW348.17 g/mol
LogP1.82
Rot. Bonds4

About 2,2,3,3,4,4,5,5,5-nonafluoro-N-morpholin-4-ylpentanamide

2,2,3,3,4,4,5,5,5-nonafluoro-N-morpholin-4-ylpentanamide (PubChem CID 4603368) has the molecular formula C9H9F9N2O2 and a molecular weight of 348.17 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,5-nonafluoro-N-morpholin-4-ylpentanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,5-nonafluoro-N-morpholin-4-ylpentanamide
PubChem CID4603368
Molecular FormulaC9H9F9N2O2
Molecular Weight348.17 g/mol
Exact Mass348.05
IUPAC Name2,2,3,3,4,4,5,5,5-nonafluoro-N-morpholin-4-ylpentanamide
SMILESO=C(NN1CCOCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H9F9N2O2/c10-6(11,5(21)19-20-1-3-22-4-2-20)7(12,13)8(14,15)9(16,17)18/h1-4H2,(H,19,21)
InChIKeyVGPRURRHRMEASH-UHFFFAOYSA-N
XLogP1.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.17
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3,4,4,4-heptafluoro-N-morpholin-4-ylbutanamide
CID 4589976
2,2,3,3,4,4,5,5,7,7,8,8,9,9,10,10,10-heptadecafluoro-N-(2-morpholin-4-ylethyl)decanamide
CID 58855463
N-morpholin-4-yl-2-oxoacetamide
CID 18449823
2-hydrazinyl-N-morpholin-4-yl-2-oxoacetamide
CID 91325671
2-amino-2-methyl-N-morpholin-4-ylbutanamide
CID 83016006
N-morpholin-4-ylmorpholine-4-carboxamide
CID 116657345
5,5-dimethyl-N-morpholin-4-yl-2,4-dioxohexanamide
CID 139707460
2-chloro-N-morpholin-4-ylacetamide
CID 3653953
1,1-dimethyl-3-morpholin-4-ylurea
CID 116657343
N-morpholin-4-yl-2-sulfanylacetamide
CID 83024350
2-cyano-N-morpholin-4-yl-2-propylpentanamide
CID 83016602
2,2,3,3,4,4,5,5,7,7,7-undecafluoro-N-(2-morpholin-4-ylethyl)heptanamide
CID 58855436

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,5-nonafluoro-N-morpholin-4-ylpentanamide?
The IUPAC name of 2,2,3,3,4,4,5,5,5-nonafluoro-N-morpholin-4-ylpentanamide (CID 4603368) is 2,2,3,3,4,4,5,5,5-nonafluoro-N-morpholin-4-ylpentanamide.
What is the SMILES notation for 2,2,3,3,4,4,5,5,5-nonafluoro-N-morpholin-4-ylpentanamide?
The canonical SMILES for 2,2,3,3,4,4,5,5,5-nonafluoro-N-morpholin-4-ylpentanamide is O=C(NN1CCOCC1)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-morpholin-4-ylpentanamide?
The InChIKey is VGPRURRHRMEASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F9N2O2/c10-6(11,5(21)19-20-1-3-22-4-2-20)7(12,13)8(14,15)9(16,17)18/h1-4H2,(H,19,21).
What are the key properties of 2,2,3,3,4,4,5,5,5-nonafluoro-N-morpholin-4-ylpentanamide?
2,2,3,3,4,4,5,5,5-nonafluoro-N-morpholin-4-ylpentanamide has a molecular weight of 348.17 g/mol, XLogP of 1.82, 4 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-morpholin-4-ylpentanamide is sourced from PubChem (CID 4603368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).