(Z)-N'-(1-fluoroethyl)but-2-enimidamide

C6H11FN2 — CID 163829755

IUPAC(Z)-N'-(1-fluoroethyl)but-2-enimidamide
SMILESC/C=C\C(N)=NC(C)F
InChIInChI=1S/C6H11FN2/c1-3-4-6(8)9-5(2)7/h3-5H,1-2H3,(H2,8,9)/b4-3-
InChIKeyOCRABMIXPLQXJZ-ARJAWSKDSA-N
MW130.17 g/mol
LogP1.24
Rot. Bonds2

About (Z)-N'-(1-fluoroethyl)but-2-enimidamide

(Z)-N'-(1-fluoroethyl)but-2-enimidamide (PubChem CID 163829755) has the molecular formula C6H11FN2 and a molecular weight of 130.17 g/mol. Its IUPAC name is (Z)-N'-(1-fluoroethyl)but-2-enimidamide.

Molecular Properties

Compound Name(Z)-N'-(1-fluoroethyl)but-2-enimidamide
PubChem CID163829755
Molecular FormulaC6H11FN2
Molecular Weight130.17 g/mol
Exact Mass130.09
IUPAC Name(Z)-N'-(1-fluoroethyl)but-2-enimidamide
SMILESC/C=C\C(N)=NC(C)F
InChIInChI=1S/C6H11FN2/c1-3-4-6(8)9-5(2)7/h3-5H,1-2H3,(H2,8,9)/b4-3-
InChIKeyOCRABMIXPLQXJZ-ARJAWSKDSA-N
XLogP1.24
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 51.24
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'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze (Z)-N'-(1-fluoroethyl)but-2-enimidamide 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 (Z)-N'-(1-fluoroethyl)but-2-enimidamide?
The IUPAC name of (Z)-N'-(1-fluoroethyl)but-2-enimidamide (CID 163829755) is (Z)-N'-(1-fluoroethyl)but-2-enimidamide.
What is the SMILES notation for (Z)-N'-(1-fluoroethyl)but-2-enimidamide?
The canonical SMILES for (Z)-N'-(1-fluoroethyl)but-2-enimidamide is C/C=C\C(N)=NC(C)F.
What is the InChIKey of (Z)-N'-(1-fluoroethyl)but-2-enimidamide?
The InChIKey is OCRABMIXPLQXJZ-ARJAWSKDSA-N. The full InChI is InChI=1S/C6H11FN2/c1-3-4-6(8)9-5(2)7/h3-5H,1-2H3,(H2,8,9)/b4-3-.
What are the key properties of (Z)-N'-(1-fluoroethyl)but-2-enimidamide?
(Z)-N'-(1-fluoroethyl)but-2-enimidamide has a molecular weight of 130.17 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-(1-fluoroethyl)but-2-enimidamide is sourced from PubChem (CID 163829755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).