N'-[(E)-2-fluoro-3-iminoprop-1-enyl]ethanimidamide

C5H8FN3 — CID 129044166

IUPACN'-[(E)-2-fluoro-3-iminoprop-1-enyl]ethanimidamide
SMILES[H]/N=C/C(F)=C\N=C(/C)N
InChIInChI=1S/C5H8FN3/c1-4(8)9-3-5(6)2-7/h2-3,7H,1H3,(H2,8,9)/b5-3+,7-2+
InChIKeyRYAFOMXHTFRJIY-ACXIEYNVSA-N
MW129.14 g/mol
LogP0.82
Rot. Bonds2

About N'-[(E)-2-fluoro-3-iminoprop-1-enyl]ethanimidamide

N'-[(E)-2-fluoro-3-iminoprop-1-enyl]ethanimidamide (PubChem CID 129044166) has the molecular formula C5H8FN3 and a molecular weight of 129.14 g/mol. Its IUPAC name is N'-[(E)-2-fluoro-3-iminoprop-1-enyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(E)-2-fluoro-3-iminoprop-1-enyl]ethanimidamide
PubChem CID129044166
Molecular FormulaC5H8FN3
Molecular Weight129.14 g/mol
Exact Mass129.07
IUPAC NameN'-[(E)-2-fluoro-3-iminoprop-1-enyl]ethanimidamide
SMILES[H]/N=C/C(F)=C\N=C(/C)N
InChIInChI=1S/C5H8FN3/c1-4(8)9-3-5(6)2-7/h2-3,7H,1H3,(H2,8,9)/b5-3+,7-2+
InChIKeyRYAFOMXHTFRJIY-ACXIEYNVSA-N
XLogP0.82
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.14
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(E)-2-fluoro-3-iminoprop-1-enyl]ethanimidamide?
The IUPAC name of N'-[(E)-2-fluoro-3-iminoprop-1-enyl]ethanimidamide (CID 129044166) is N'-[(E)-2-fluoro-3-iminoprop-1-enyl]ethanimidamide.
What is the SMILES notation for N'-[(E)-2-fluoro-3-iminoprop-1-enyl]ethanimidamide?
The canonical SMILES for N'-[(E)-2-fluoro-3-iminoprop-1-enyl]ethanimidamide is [H]/N=C/C(F)=C\N=C(/C)N.
What is the InChIKey of N'-[(E)-2-fluoro-3-iminoprop-1-enyl]ethanimidamide?
The InChIKey is RYAFOMXHTFRJIY-ACXIEYNVSA-N. The full InChI is InChI=1S/C5H8FN3/c1-4(8)9-3-5(6)2-7/h2-3,7H,1H3,(H2,8,9)/b5-3+,7-2+.
What are the key properties of N'-[(E)-2-fluoro-3-iminoprop-1-enyl]ethanimidamide?
N'-[(E)-2-fluoro-3-iminoprop-1-enyl]ethanimidamide has a molecular weight of 129.14 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-2-fluoro-3-iminoprop-1-enyl]ethanimidamide is sourced from PubChem (CID 129044166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).