2-prop-2-enyl-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide

C10H18F3IN4 — CID 110916959

About 2-prop-2-enyl-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide

2-prop-2-enyl-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide (PubChem CID 110916959) has the molecular formula C10H18F3IN4 and a molecular weight of 378.18 g/mol. Its IUPAC name is 2-prop-2-enyl-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide.

Molecular Properties

• Compound Name: 2-prop-2-enyl-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
• PubChem CID: 110916959
• Molecular Formula: C10H18F3IN4
• Molecular Weight: 378.18 g/mol
• Exact Mass: 378.05
• IUPAC Name: 2-prop-2-enyl-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
• SMILES: C=CC/N=C(\N)NC1CCN(CC(F)(F)F)C1.I
• InChI: InChI=1S/C10H17F3N4.HI/c1-2-4-15-9(14)16-8-3-5-17(6-8)7-10(11,12)13;/h2,8H,1,3-7H2,(H3,14,15,16);1H
• InChIKey: LBEMBCUADROLOV-UHFFFAOYSA-N
• XLogP: 1.33
• TPSA: 53.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.18
LogP ≤ 5	1.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enyl-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide?

The IUPAC name of 2-prop-2-enyl-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide (CID 110916959) is 2-prop-2-enyl-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide.

What is the SMILES notation for 2-prop-2-enyl-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide?

The canonical SMILES for 2-prop-2-enyl-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide is C=CC/N=C(\N)NC1CCN(CC(F)(F)F)C1.I.

What is the InChIKey of 2-prop-2-enyl-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide?

The InChIKey is LBEMBCUADROLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N4.HI/c1-2-4-15-9(14)16-8-3-5-17(6-8)7-10(11,12)13;/h2,8H,1,3-7H2,(H3,14,15,16);1H.

What are the key properties of 2-prop-2-enyl-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide?

2-prop-2-enyl-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide has a molecular weight of 378.18 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-prop-2-enyl-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide is sourced from PubChem (CID 110916959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).