(3R)-3-(ethoxymethyl)-3-(trifluoromethyl)pyrrolidine-1-carboximidamide

C9H16F3N3O — CID 129495817

IUPAC(3R)-3-(ethoxymethyl)-3-(trifluoromethyl)pyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CC[C@@](COCC)(C(F)(F)F)C1
InChIInChI=1S/C9H16F3N3O/c1-2-16-6-8(9(10,11)12)3-4-15(5-8)7(13)14/h2-6H2,1H3,(H3,13,14)/t8-/m1/s1
InChIKeyCCGQCFPCSKFFKX-MRVPVSSYSA-N
MW239.24 g/mol
LogP1.17
Rot. Bonds3

About (3R)-3-(ethoxymethyl)-3-(trifluoromethyl)pyrrolidine-1-carboximidamide

(3R)-3-(ethoxymethyl)-3-(trifluoromethyl)pyrrolidine-1-carboximidamide (PubChem CID 129495817) has the molecular formula C9H16F3N3O and a molecular weight of 239.24 g/mol. Its IUPAC name is (3R)-3-(ethoxymethyl)-3-(trifluoromethyl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound Name(3R)-3-(ethoxymethyl)-3-(trifluoromethyl)pyrrolidine-1-carboximidamide
PubChem CID129495817
Molecular FormulaC9H16F3N3O
Molecular Weight239.24 g/mol
Exact Mass239.12
IUPAC Name(3R)-3-(ethoxymethyl)-3-(trifluoromethyl)pyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CC[C@@](COCC)(C(F)(F)F)C1
InChIInChI=1S/C9H16F3N3O/c1-2-16-6-8(9(10,11)12)3-4-15(5-8)7(13)14/h2-6H2,1H3,(H3,13,14)/t8-/m1/s1
InChIKeyCCGQCFPCSKFFKX-MRVPVSSYSA-N
XLogP1.17
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3R)-3-(ethoxymethyl)-3-(trifluoromethyl)pyrrolidine-1-carboximidamide 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 (3R)-3-(ethoxymethyl)-3-(trifluoromethyl)pyrrolidine-1-carboximidamide?
The IUPAC name of (3R)-3-(ethoxymethyl)-3-(trifluoromethyl)pyrrolidine-1-carboximidamide (CID 129495817) is (3R)-3-(ethoxymethyl)-3-(trifluoromethyl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for (3R)-3-(ethoxymethyl)-3-(trifluoromethyl)pyrrolidine-1-carboximidamide?
The canonical SMILES for (3R)-3-(ethoxymethyl)-3-(trifluoromethyl)pyrrolidine-1-carboximidamide is [H]/N=C(\N)N1CC[C@@](COCC)(C(F)(F)F)C1.
What is the InChIKey of (3R)-3-(ethoxymethyl)-3-(trifluoromethyl)pyrrolidine-1-carboximidamide?
The InChIKey is CCGQCFPCSKFFKX-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H16F3N3O/c1-2-16-6-8(9(10,11)12)3-4-15(5-8)7(13)14/h2-6H2,1H3,(H3,13,14)/t8-/m1/s1.
What are the key properties of (3R)-3-(ethoxymethyl)-3-(trifluoromethyl)pyrrolidine-1-carboximidamide?
(3R)-3-(ethoxymethyl)-3-(trifluoromethyl)pyrrolidine-1-carboximidamide has a molecular weight of 239.24 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(ethoxymethyl)-3-(trifluoromethyl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 129495817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).