(Z)-3-[(E)-2-fluoroethenyl]iminoprop-1-en-1-amine

C5H7FN2 — CID 163663920

IUPAC(Z)-3-[(E)-2-fluoroethenyl]iminoprop-1-en-1-amine
SMILESN/C=C\C=N\C=C\F
InChIInChI=1S/C5H7FN2/c6-2-5-8-4-1-3-7/h1-5H,7H2/b3-1-,5-2+,8-4+
InChIKeyIWSROESUKQSETJ-OTYKZUSLSA-N
MW114.12 g/mol
LogP0.97
Rot. Bonds2

About (Z)-3-[(E)-2-fluoroethenyl]iminoprop-1-en-1-amine

(Z)-3-[(E)-2-fluoroethenyl]iminoprop-1-en-1-amine (PubChem CID 163663920) has the molecular formula C5H7FN2 and a molecular weight of 114.12 g/mol. Its IUPAC name is (Z)-3-[(E)-2-fluoroethenyl]iminoprop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-[(E)-2-fluoroethenyl]iminoprop-1-en-1-amine
PubChem CID163663920
Molecular FormulaC5H7FN2
Molecular Weight114.12 g/mol
Exact Mass114.06
IUPAC Name(Z)-3-[(E)-2-fluoroethenyl]iminoprop-1-en-1-amine
SMILESN/C=C\C=N\C=C\F
InChIInChI=1S/C5H7FN2/c6-2-5-8-4-1-3-7/h1-5H,7H2/b3-1-,5-2+,8-4+
InChIKeyIWSROESUKQSETJ-OTYKZUSLSA-N
XLogP0.97
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.12
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-3-[(E)-2-fluoroethenyl]iminoprop-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 (Z)-3-[(E)-2-fluoroethenyl]iminoprop-1-en-1-amine?
The IUPAC name of (Z)-3-[(E)-2-fluoroethenyl]iminoprop-1-en-1-amine (CID 163663920) is (Z)-3-[(E)-2-fluoroethenyl]iminoprop-1-en-1-amine.
What is the SMILES notation for (Z)-3-[(E)-2-fluoroethenyl]iminoprop-1-en-1-amine?
The canonical SMILES for (Z)-3-[(E)-2-fluoroethenyl]iminoprop-1-en-1-amine is N/C=C\C=N\C=C\F.
What is the InChIKey of (Z)-3-[(E)-2-fluoroethenyl]iminoprop-1-en-1-amine?
The InChIKey is IWSROESUKQSETJ-OTYKZUSLSA-N. The full InChI is InChI=1S/C5H7FN2/c6-2-5-8-4-1-3-7/h1-5H,7H2/b3-1-,5-2+,8-4+.
What are the key properties of (Z)-3-[(E)-2-fluoroethenyl]iminoprop-1-en-1-amine?
(Z)-3-[(E)-2-fluoroethenyl]iminoprop-1-en-1-amine has a molecular weight of 114.12 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[(E)-2-fluoroethenyl]iminoprop-1-en-1-amine is sourced from PubChem (CID 163663920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).