2,2,2-trifluoro-N-(3-morpholin-4-ylpropyl)acetamide

C9H15F3N2O2 — CID 3254694

IUPAC2,2,2-trifluoro-N-(3-morpholin-4-ylpropyl)acetamide
SMILESO=C(NCCCN1CCOCC1)C(F)(F)F
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)8(15)13-2-1-3-14-4-6-16-7-5-14/h1-7H2,(H,13,15)
InChIKeyPBZIIFCITSBJJX-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.39
Rot. Bonds4

About 2,2,2-trifluoro-N-(3-morpholin-4-ylpropyl)acetamide

2,2,2-trifluoro-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 3254694) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(3-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(3-morpholin-4-ylpropyl)acetamide
PubChem CID3254694
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name2,2,2-trifluoro-N-(3-morpholin-4-ylpropyl)acetamide
SMILESO=C(NCCCN1CCOCC1)C(F)(F)F
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)8(15)13-2-1-3-14-4-6-16-7-5-14/h1-7H2,(H,13,15)
InChIKeyPBZIIFCITSBJJX-UHFFFAOYSA-N
XLogP0.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(3-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(3-morpholin-4-ylpropyl)acetamide (CID 3254694) is 2,2,2-trifluoro-N-(3-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(3-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(3-morpholin-4-ylpropyl)acetamide is O=C(NCCCN1CCOCC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(3-morpholin-4-ylpropyl)acetamide?
The InChIKey is PBZIIFCITSBJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c10-9(11,12)8(15)13-2-1-3-14-4-6-16-7-5-14/h1-7H2,(H,13,15).
What are the key properties of 2,2,2-trifluoro-N-(3-morpholin-4-ylpropyl)acetamide?
2,2,2-trifluoro-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 240.22 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(3-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 3254694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).