(E)-2-fluoro-3-prop-1-en-2-yliminoprop-1-en-1-amine

C6H9FN2 — CID 89209833

IUPAC(E)-2-fluoro-3-prop-1-en-2-yliminoprop-1-en-1-amine
SMILESC=C(C)/N=C/C(F)=C\N
InChIInChI=1S/C6H9FN2/c1-5(2)9-4-6(7)3-8/h3-4H,1,8H2,2H3/b6-3+,9-4+
InChIKeyYSVKGOFADAUVOS-PLPQCDBPSA-N
MW128.15 g/mol
LogP1.36
Rot. Bonds2

About (E)-2-fluoro-3-prop-1-en-2-yliminoprop-1-en-1-amine

(E)-2-fluoro-3-prop-1-en-2-yliminoprop-1-en-1-amine (PubChem CID 89209833) has the molecular formula C6H9FN2 and a molecular weight of 128.15 g/mol. Its IUPAC name is (E)-2-fluoro-3-prop-1-en-2-yliminoprop-1-en-1-amine.

Molecular Properties

Compound Name(E)-2-fluoro-3-prop-1-en-2-yliminoprop-1-en-1-amine
PubChem CID89209833
Molecular FormulaC6H9FN2
Molecular Weight128.15 g/mol
Exact Mass128.07
IUPAC Name(E)-2-fluoro-3-prop-1-en-2-yliminoprop-1-en-1-amine
SMILESC=C(C)/N=C/C(F)=C\N
InChIInChI=1S/C6H9FN2/c1-5(2)9-4-6(7)3-8/h3-4H,1,8H2,2H3/b6-3+,9-4+
InChIKeyYSVKGOFADAUVOS-PLPQCDBPSA-N
XLogP1.36
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.15
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-2-fluoro-3-prop-1-en-2-yliminoprop-1-en-1-amine 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 (E)-2-fluoro-3-prop-1-en-2-yliminoprop-1-en-1-amine?
The IUPAC name of (E)-2-fluoro-3-prop-1-en-2-yliminoprop-1-en-1-amine (CID 89209833) is (E)-2-fluoro-3-prop-1-en-2-yliminoprop-1-en-1-amine.
What is the SMILES notation for (E)-2-fluoro-3-prop-1-en-2-yliminoprop-1-en-1-amine?
The canonical SMILES for (E)-2-fluoro-3-prop-1-en-2-yliminoprop-1-en-1-amine is C=C(C)/N=C/C(F)=C\N.
What is the InChIKey of (E)-2-fluoro-3-prop-1-en-2-yliminoprop-1-en-1-amine?
The InChIKey is YSVKGOFADAUVOS-PLPQCDBPSA-N. The full InChI is InChI=1S/C6H9FN2/c1-5(2)9-4-6(7)3-8/h3-4H,1,8H2,2H3/b6-3+,9-4+.
What are the key properties of (E)-2-fluoro-3-prop-1-en-2-yliminoprop-1-en-1-amine?
(E)-2-fluoro-3-prop-1-en-2-yliminoprop-1-en-1-amine has a molecular weight of 128.15 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-fluoro-3-prop-1-en-2-yliminoprop-1-en-1-amine is sourced from PubChem (CID 89209833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).