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

C8H16F3IN4 — CID 110916963

IUPAC2-methyl-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
SMILESC/N=C(\N)NC1CCN(CC(F)(F)F)C1.I
InChIInChI=1S/C8H15F3N4.HI/c1-13-7(12)14-6-2-3-15(4-6)5-8(9,10)11;/h6H,2-5H2,1H3,(H3,12,13,14);1H
InChIKeyARAWQIDLJLPKEH-UHFFFAOYSA-N
MW352.14 g/mol
LogP0.78
Rot. Bonds2

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

2-methyl-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide (PubChem CID 110916963) has the molecular formula C8H16F3IN4 and a molecular weight of 352.14 g/mol. Its IUPAC name is 2-methyl-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide.

Molecular Properties

Compound Name2-methyl-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
PubChem CID110916963
Molecular FormulaC8H16F3IN4
Molecular Weight352.14 g/mol
Exact Mass352.04
IUPAC Name2-methyl-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
SMILESC/N=C(\N)NC1CCN(CC(F)(F)F)C1.I
InChIInChI=1S/C8H15F3N4.HI/c1-13-7(12)14-6-2-3-15(4-6)5-8(9,10)11;/h6H,2-5H2,1H3,(H3,12,13,14);1H
InChIKeyARAWQIDLJLPKEH-UHFFFAOYSA-N
XLogP0.78
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.14
LogP ≤ 50.78
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide?
The IUPAC name of 2-methyl-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide (CID 110916963) is 2-methyl-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide.
What is the SMILES notation for 2-methyl-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide?
The canonical SMILES for 2-methyl-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide is C/N=C(\N)NC1CCN(CC(F)(F)F)C1.I.
What is the InChIKey of 2-methyl-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide?
The InChIKey is ARAWQIDLJLPKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N4.HI/c1-13-7(12)14-6-2-3-15(4-6)5-8(9,10)11;/h6H,2-5H2,1H3,(H3,12,13,14);1H.
What are the key properties of 2-methyl-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide?
2-methyl-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide has a molecular weight of 352.14 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide is sourced from PubChem (CID 110916963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).