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

C11H19F3N4 — CID 55063075

IUPAC1-cyclopropyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine
SMILESN/C(=N\CC1CCN(CC(F)(F)F)C1)NC1CC1
InChIInChI=1S/C11H19F3N4/c12-11(13,14)7-18-4-3-8(6-18)5-16-10(15)17-9-1-2-9/h8-9H,1-7H2,(H3,15,16,17)
InChIKeyAJMVKANZRXSYLJ-UHFFFAOYSA-N
MW264.29 g/mol
LogP0.94
Rot. Bonds4

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

1-cyclopropyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine (PubChem CID 55063075) has the molecular formula C11H19F3N4 and a molecular weight of 264.29 g/mol. Its IUPAC name is 1-cyclopropyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine
PubChem CID55063075
Molecular FormulaC11H19F3N4
Molecular Weight264.29 g/mol
Exact Mass264.16
IUPAC Name1-cyclopropyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine
SMILESN/C(=N\CC1CCN(CC(F)(F)F)C1)NC1CC1
InChIInChI=1S/C11H19F3N4/c12-11(13,14)7-18-4-3-8(6-18)5-16-10(15)17-9-1-2-9/h8-9H,1-7H2,(H3,15,16,17)
InChIKeyAJMVKANZRXSYLJ-UHFFFAOYSA-N
XLogP0.94
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 ≤ 50.94
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine?
The IUPAC name of 1-cyclopropyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine (CID 55063075) is 1-cyclopropyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine.
What is the SMILES notation for 1-cyclopropyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine?
The canonical SMILES for 1-cyclopropyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine is N/C(=N\CC1CCN(CC(F)(F)F)C1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine?
The InChIKey is AJMVKANZRXSYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N4/c12-11(13,14)7-18-4-3-8(6-18)5-16-10(15)17-9-1-2-9/h8-9H,1-7H2,(H3,15,16,17).
What are the key properties of 1-cyclopropyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine?
1-cyclopropyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine has a molecular weight of 264.29 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine is sourced from PubChem (CID 55063075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).