3,3,3-trifluoro-2-(morpholin-4-ylmethyl)propanimidamide

C8H14F3N3O — CID 103370523

IUPAC3,3,3-trifluoro-2-(morpholin-4-ylmethyl)propanimidamide
SMILES[H]/N=C(\N)C(CN1CCOCC1)C(F)(F)F
InChIInChI=1S/C8H14F3N3O/c9-8(10,11)6(7(12)13)5-14-1-3-15-4-2-14/h6H,1-5H2,(H3,12,13)
InChIKeyKLQIMGUXFFCDIX-UHFFFAOYSA-N
MW225.21 g/mol
LogP0.43
Rot. Bonds3

About 3,3,3-trifluoro-2-(morpholin-4-ylmethyl)propanimidamide

3,3,3-trifluoro-2-(morpholin-4-ylmethyl)propanimidamide (PubChem CID 103370523) has the molecular formula C8H14F3N3O and a molecular weight of 225.21 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(morpholin-4-ylmethyl)propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(morpholin-4-ylmethyl)propanimidamide
PubChem CID103370523
Molecular FormulaC8H14F3N3O
Molecular Weight225.21 g/mol
Exact Mass225.11
IUPAC Name3,3,3-trifluoro-2-(morpholin-4-ylmethyl)propanimidamide
SMILES[H]/N=C(\N)C(CN1CCOCC1)C(F)(F)F
InChIInChI=1S/C8H14F3N3O/c9-8(10,11)6(7(12)13)5-14-1-3-15-4-2-14/h6H,1-5H2,(H3,12,13)
InChIKeyKLQIMGUXFFCDIX-UHFFFAOYSA-N
XLogP0.43
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(morpholin-4-ylmethyl)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-(morpholin-4-ylmethyl)propanimidamide?
The IUPAC name of 3,3,3-trifluoro-2-(morpholin-4-ylmethyl)propanimidamide (CID 103370523) is 3,3,3-trifluoro-2-(morpholin-4-ylmethyl)propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-2-(morpholin-4-ylmethyl)propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-2-(morpholin-4-ylmethyl)propanimidamide is [H]/N=C(\N)C(CN1CCOCC1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-(morpholin-4-ylmethyl)propanimidamide?
The InChIKey is KLQIMGUXFFCDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N3O/c9-8(10,11)6(7(12)13)5-14-1-3-15-4-2-14/h6H,1-5H2,(H3,12,13).
What are the key properties of 3,3,3-trifluoro-2-(morpholin-4-ylmethyl)propanimidamide?
3,3,3-trifluoro-2-(morpholin-4-ylmethyl)propanimidamide has a molecular weight of 225.21 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-(morpholin-4-ylmethyl)propanimidamide is sourced from PubChem (CID 103370523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).