2-(2-methylprop-2-enyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine

C11H19F3N4 — CID 75533014

IUPAC2-(2-methylprop-2-enyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
SMILESC=C(C)C/N=C(\N)NC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C11H19F3N4/c1-8(2)5-16-10(15)17-9-3-4-18(6-9)7-11(12,13)14/h9H,1,3-7H2,2H3,(H3,15,16,17)
InChIKeyBGGWNGXFJANENZ-UHFFFAOYSA-N
MW264.29 g/mol
LogP1.10
Rot. Bonds4

About 2-(2-methylprop-2-enyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine

2-(2-methylprop-2-enyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine (PubChem CID 75533014) has the molecular formula C11H19F3N4 and a molecular weight of 264.29 g/mol. Its IUPAC name is 2-(2-methylprop-2-enyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine.

Molecular Properties

Compound Name2-(2-methylprop-2-enyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
PubChem CID75533014
Molecular FormulaC11H19F3N4
Molecular Weight264.29 g/mol
Exact Mass264.16
IUPAC Name2-(2-methylprop-2-enyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
SMILESC=C(C)C/N=C(\N)NC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C11H19F3N4/c1-8(2)5-16-10(15)17-9-3-4-18(6-9)7-11(12,13)14/h9H,1,3-7H2,2H3,(H3,15,16,17)
InChIKeyBGGWNGXFJANENZ-UHFFFAOYSA-N
XLogP1.10
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 51.10
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine?
The IUPAC name of 2-(2-methylprop-2-enyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine (CID 75533014) is 2-(2-methylprop-2-enyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine.
What is the SMILES notation for 2-(2-methylprop-2-enyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine?
The canonical SMILES for 2-(2-methylprop-2-enyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine is C=C(C)C/N=C(\N)NC1CCN(CC(F)(F)F)C1.
What is the InChIKey of 2-(2-methylprop-2-enyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine?
The InChIKey is BGGWNGXFJANENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N4/c1-8(2)5-16-10(15)17-9-3-4-18(6-9)7-11(12,13)14/h9H,1,3-7H2,2H3,(H3,15,16,17).
What are the key properties of 2-(2-methylprop-2-enyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine?
2-(2-methylprop-2-enyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine has a molecular weight of 264.29 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine is sourced from PubChem (CID 75533014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).