2,2,3,3,3-pentafluoro-N-(2-morpholin-4-ylethyl)propanamide

C9H13F5N2O2 — CID 58855413

IUPAC2,2,3,3,3-pentafluoro-N-(2-morpholin-4-ylethyl)propanamide
SMILESO=C(NCCN1CCOCC1)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H13F5N2O2/c10-8(11,9(12,13)14)7(17)15-1-2-16-3-5-18-6-4-16/h1-6H2,(H,15,17)
InChIKeyXNNMQCNYXUADAJ-UHFFFAOYSA-N
MW276.20 g/mol
LogP0.63
Rot. Bonds4

About 2,2,3,3,3-pentafluoro-N-(2-morpholin-4-ylethyl)propanamide

2,2,3,3,3-pentafluoro-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 58855413) has the molecular formula C9H13F5N2O2 and a molecular weight of 276.20 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID58855413
Molecular FormulaC9H13F5N2O2
Molecular Weight276.20 g/mol
Exact Mass276.09
IUPAC Name2,2,3,3,3-pentafluoro-N-(2-morpholin-4-ylethyl)propanamide
SMILESO=C(NCCN1CCOCC1)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H13F5N2O2/c10-8(11,9(12,13)14)7(17)15-1-2-16-3-5-18-6-4-16/h1-6H2,(H,15,17)
InChIKeyXNNMQCNYXUADAJ-UHFFFAOYSA-N
XLogP0.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.20
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2,3,3,3-pentafluoro-N-(2-morpholin-4-ylethyl)propanamide 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 2,2,3,3,3-pentafluoro-N-(2-morpholin-4-ylethyl)propanamide?
The IUPAC name of 2,2,3,3,3-pentafluoro-N-(2-morpholin-4-ylethyl)propanamide (CID 58855413) is 2,2,3,3,3-pentafluoro-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N-(2-morpholin-4-ylethyl)propanamide is O=C(NCCN1CCOCC1)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is XNNMQCNYXUADAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F5N2O2/c10-8(11,9(12,13)14)7(17)15-1-2-16-3-5-18-6-4-16/h1-6H2,(H,15,17).
What are the key properties of 2,2,3,3,3-pentafluoro-N-(2-morpholin-4-ylethyl)propanamide?
2,2,3,3,3-pentafluoro-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 276.20 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 58855413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).