N-(1-aminoethylidene)-2-fluoroethanimidamide

C4H8FN3 — CID 59660942

IUPACN-(1-aminoethylidene)-2-fluoroethanimidamide
SMILES[H]/N=C(CF)/N=C(\C)N
InChIInChI=1S/C4H8FN3/c1-3(6)8-4(7)2-5/h2H2,1H3,(H3,6,7,8)
InChIKeyLEFPCDLNPFPIFT-UHFFFAOYSA-N
MW117.13 g/mol
LogP0.31
Rot. Bonds1

About N-(1-aminoethylidene)-2-fluoroethanimidamide

N-(1-aminoethylidene)-2-fluoroethanimidamide (PubChem CID 59660942) has the molecular formula C4H8FN3 and a molecular weight of 117.13 g/mol. Its IUPAC name is N-(1-aminoethylidene)-2-fluoroethanimidamide.

Molecular Properties

Compound NameN-(1-aminoethylidene)-2-fluoroethanimidamide
PubChem CID59660942
Molecular FormulaC4H8FN3
Molecular Weight117.13 g/mol
Exact Mass117.07
IUPAC NameN-(1-aminoethylidene)-2-fluoroethanimidamide
SMILES[H]/N=C(CF)/N=C(\C)N
InChIInChI=1S/C4H8FN3/c1-3(6)8-4(7)2-5/h2H2,1H3,(H3,6,7,8)
InChIKeyLEFPCDLNPFPIFT-UHFFFAOYSA-N
XLogP0.31
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.13
LogP ≤ 50.31
H-Bond Donors ≤ 52
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-(1-aminoethylidene)-2-fluoroethanimidamide 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-(1-aminoethylidene)-2-fluoroethanimidamide?
The IUPAC name of N-(1-aminoethylidene)-2-fluoroethanimidamide (CID 59660942) is N-(1-aminoethylidene)-2-fluoroethanimidamide.
What is the SMILES notation for N-(1-aminoethylidene)-2-fluoroethanimidamide?
The canonical SMILES for N-(1-aminoethylidene)-2-fluoroethanimidamide is [H]/N=C(CF)/N=C(\C)N.
What is the InChIKey of N-(1-aminoethylidene)-2-fluoroethanimidamide?
The InChIKey is LEFPCDLNPFPIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8FN3/c1-3(6)8-4(7)2-5/h2H2,1H3,(H3,6,7,8).
What are the key properties of N-(1-aminoethylidene)-2-fluoroethanimidamide?
N-(1-aminoethylidene)-2-fluoroethanimidamide has a molecular weight of 117.13 g/mol, XLogP of 0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminoethylidene)-2-fluoroethanimidamide is sourced from PubChem (CID 59660942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).