2-(aminomethyl)-1-(2-fluoroethyl)guanidine

C4H11FN4 — CID 173488130

IUPAC2-(aminomethyl)-1-(2-fluoroethyl)guanidine
SMILESNCN=C(N)NCCF
InChIInChI=1S/C4H11FN4/c5-1-2-8-4(7)9-3-6/h1-3,6H2,(H3,7,8,9)
InChIKeyWDHRJHVAQPNSAB-UHFFFAOYSA-N
MW134.16 g/mol
LogP-1.22
Rot. Bonds3

About 2-(aminomethyl)-1-(2-fluoroethyl)guanidine

2-(aminomethyl)-1-(2-fluoroethyl)guanidine (PubChem CID 173488130) has the molecular formula C4H11FN4 and a molecular weight of 134.16 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(2-fluoroethyl)guanidine.

Molecular Properties

Compound Name2-(aminomethyl)-1-(2-fluoroethyl)guanidine
PubChem CID173488130
Molecular FormulaC4H11FN4
Molecular Weight134.16 g/mol
Exact Mass134.10
IUPAC Name2-(aminomethyl)-1-(2-fluoroethyl)guanidine
SMILESNCN=C(N)NCCF
InChIInChI=1S/C4H11FN4/c5-1-2-8-4(7)9-3-6/h1-3,6H2,(H3,7,8,9)
InChIKeyWDHRJHVAQPNSAB-UHFFFAOYSA-N
XLogP-1.22
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.16
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(aminomethyl)-1-(2-fluoroethyl)guanidine 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 2-(aminomethyl)-1-(2-fluoroethyl)guanidine?
The IUPAC name of 2-(aminomethyl)-1-(2-fluoroethyl)guanidine (CID 173488130) is 2-(aminomethyl)-1-(2-fluoroethyl)guanidine.
What is the SMILES notation for 2-(aminomethyl)-1-(2-fluoroethyl)guanidine?
The canonical SMILES for 2-(aminomethyl)-1-(2-fluoroethyl)guanidine is NCN=C(N)NCCF.
What is the InChIKey of 2-(aminomethyl)-1-(2-fluoroethyl)guanidine?
The InChIKey is WDHRJHVAQPNSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11FN4/c5-1-2-8-4(7)9-3-6/h1-3,6H2,(H3,7,8,9).
What are the key properties of 2-(aminomethyl)-1-(2-fluoroethyl)guanidine?
2-(aminomethyl)-1-(2-fluoroethyl)guanidine has a molecular weight of 134.16 g/mol, XLogP of -1.22, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(2-fluoroethyl)guanidine is sourced from PubChem (CID 173488130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).