3,3,3-trifluoro-2-(2-pyridin-2-ylethoxymethyl)propanimidamide

C11H14F3N3O — CID 103370979

IUPAC3,3,3-trifluoro-2-(2-pyridin-2-ylethoxymethyl)propanimidamide
SMILES[H]/N=C(\N)C(COCCc1ccccn1)C(F)(F)F
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)9(10(15)16)7-18-6-4-8-3-1-2-5-17-8/h1-3,5,9H,4,6-7H2,(H3,15,16)
InChIKeyPXKDRWJHKRKAQW-UHFFFAOYSA-N
MW261.25 g/mol
LogP1.76
Rot. Bonds6

About 3,3,3-trifluoro-2-(2-pyridin-2-ylethoxymethyl)propanimidamide

3,3,3-trifluoro-2-(2-pyridin-2-ylethoxymethyl)propanimidamide (PubChem CID 103370979) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(2-pyridin-2-ylethoxymethyl)propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(2-pyridin-2-ylethoxymethyl)propanimidamide
PubChem CID103370979
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name3,3,3-trifluoro-2-(2-pyridin-2-ylethoxymethyl)propanimidamide
SMILES[H]/N=C(\N)C(COCCc1ccccn1)C(F)(F)F
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)9(10(15)16)7-18-6-4-8-3-1-2-5-17-8/h1-3,5,9H,4,6-7H2,(H3,15,16)
InChIKeyPXKDRWJHKRKAQW-UHFFFAOYSA-N
XLogP1.76
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,3,3-trifluoro-2-(2-pyridin-2-ylethoxymethyl)propanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-Methoxyethyl)pyridine
CID 66991
2-(2-Ethoxyethyl)pyridine
CID 98758
Pyridine, 2-(2-(1-methylethoxy)ethyl)-
CID 116853
Potassium 2-pyridin-2-ylethoxymethanedithioate
CID 71681525
O-(2-pyridin-2-ylethyl) N-(2,5-difluorophenyl)carbamothioate
CID 44560134
O-(2-pyridin-2-ylethyl) N-(3,5-difluorophenyl)carbamothioate
CID 44560148
2-(2-Propoxyethyl)pyridine
CID 112444
2-[2-(Aminooxy)ethyl]pyridine
CID 11815421
2-Methoxy-1-(pyridin-2-yl)ethan-1-amine
CID 45791144
(2-Methoxy-1-pyridin-2-ylethyl)methylamine
CID 45791145
2-(5-Fluoropyridin-2-yl)ethan-1-ol
CID 55266239
3-(Pyridin-2-yl)oxetan-3-amine
CID 67957653

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-(2-pyridin-2-ylethoxymethyl)propanimidamide?
The IUPAC name of 3,3,3-trifluoro-2-(2-pyridin-2-ylethoxymethyl)propanimidamide (CID 103370979) is 3,3,3-trifluoro-2-(2-pyridin-2-ylethoxymethyl)propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-2-(2-pyridin-2-ylethoxymethyl)propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-2-(2-pyridin-2-ylethoxymethyl)propanimidamide is [H]/N=C(\N)C(COCCc1ccccn1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-(2-pyridin-2-ylethoxymethyl)propanimidamide?
The InChIKey is PXKDRWJHKRKAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c12-11(13,14)9(10(15)16)7-18-6-4-8-3-1-2-5-17-8/h1-3,5,9H,4,6-7H2,(H3,15,16).
What are the key properties of 3,3,3-trifluoro-2-(2-pyridin-2-ylethoxymethyl)propanimidamide?
3,3,3-trifluoro-2-(2-pyridin-2-ylethoxymethyl)propanimidamide has a molecular weight of 261.25 g/mol, XLogP of 1.76, 6 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-(2-pyridin-2-ylethoxymethyl)propanimidamide is sourced from PubChem (CID 103370979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).