3,3,3-trifluoro-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]propanimidamide

C12H21F3N4O — CID 103370734

IUPAC3,3,3-trifluoro-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]propanimidamide
SMILES[H]/N=C(\N)C(CN1CCC(N2CCOCC2)C1)C(F)(F)F
InChIInChI=1S/C12H21F3N4O/c13-12(14,15)10(11(16)17)8-18-2-1-9(7-18)19-3-5-20-6-4-19/h9-10H,1-8H2,(H3,16,17)
InChIKeyICANSLMUJGXRSI-UHFFFAOYSA-N
MW294.32 g/mol
LogP0.51
Rot. Bonds4

About 3,3,3-trifluoro-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]propanimidamide

3,3,3-trifluoro-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]propanimidamide (PubChem CID 103370734) has the molecular formula C12H21F3N4O and a molecular weight of 294.32 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]propanimidamide
PubChem CID103370734
Molecular FormulaC12H21F3N4O
Molecular Weight294.32 g/mol
Exact Mass294.17
IUPAC Name3,3,3-trifluoro-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]propanimidamide
SMILES[H]/N=C(\N)C(CN1CCC(N2CCOCC2)C1)C(F)(F)F
InChIInChI=1S/C12H21F3N4O/c13-12(14,15)10(11(16)17)8-18-2-1-9(7-18)19-3-5-20-6-4-19/h9-10H,1-8H2,(H3,16,17)
InChIKeyICANSLMUJGXRSI-UHFFFAOYSA-N
XLogP0.51
TPSA65.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3,3,3-trifluoro-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]propanimidamide 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 3,3,3-trifluoro-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]propanimidamide (CID 103370734) is 3,3,3-trifluoro-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]propanimidamide is [H]/N=C(\N)C(CN1CCC(N2CCOCC2)C1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]propanimidamide?
The InChIKey is ICANSLMUJGXRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N4O/c13-12(14,15)10(11(16)17)8-18-2-1-9(7-18)19-3-5-20-6-4-19/h9-10H,1-8H2,(H3,16,17).
What are the key properties of 3,3,3-trifluoro-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]propanimidamide?
3,3,3-trifluoro-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]propanimidamide has a molecular weight of 294.32 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]propanimidamide is sourced from PubChem (CID 103370734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).