N'-(2-fluoroethyl)pyrrolidine-1-carboximidamide

C7H14FN3 — CID 130742355

IUPACN'-(2-fluoroethyl)pyrrolidine-1-carboximidamide
SMILESN/C(=N\CCF)N1CCCC1
InChIInChI=1S/C7H14FN3/c8-3-4-10-7(9)11-5-1-2-6-11/h1-6H2,(H2,9,10)
InChIKeyFERFVKCGQFZIJE-UHFFFAOYSA-N
MW159.21 g/mol
LogP0.37
Rot. Bonds2

About N'-(2-fluoroethyl)pyrrolidine-1-carboximidamide

N'-(2-fluoroethyl)pyrrolidine-1-carboximidamide (PubChem CID 130742355) has the molecular formula C7H14FN3 and a molecular weight of 159.21 g/mol. Its IUPAC name is N'-(2-fluoroethyl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-(2-fluoroethyl)pyrrolidine-1-carboximidamide
PubChem CID130742355
Molecular FormulaC7H14FN3
Molecular Weight159.21 g/mol
Exact Mass159.12
IUPAC NameN'-(2-fluoroethyl)pyrrolidine-1-carboximidamide
SMILESN/C(=N\CCF)N1CCCC1
InChIInChI=1S/C7H14FN3/c8-3-4-10-7(9)11-5-1-2-6-11/h1-6H2,(H2,9,10)
InChIKeyFERFVKCGQFZIJE-UHFFFAOYSA-N
XLogP0.37
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N'-(2-fluoroethyl)pyrrolidine-1-carboximidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(2-fluoroethyl)pyrrolidine-1-carboximidamide?
The IUPAC name of N'-(2-fluoroethyl)pyrrolidine-1-carboximidamide (CID 130742355) is N'-(2-fluoroethyl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-(2-fluoroethyl)pyrrolidine-1-carboximidamide?
The canonical SMILES for N'-(2-fluoroethyl)pyrrolidine-1-carboximidamide is N/C(=N\CCF)N1CCCC1.
What is the InChIKey of N'-(2-fluoroethyl)pyrrolidine-1-carboximidamide?
The InChIKey is FERFVKCGQFZIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FN3/c8-3-4-10-7(9)11-5-1-2-6-11/h1-6H2,(H2,9,10).
What are the key properties of N'-(2-fluoroethyl)pyrrolidine-1-carboximidamide?
N'-(2-fluoroethyl)pyrrolidine-1-carboximidamide has a molecular weight of 159.21 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluoroethyl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 130742355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).