(E)-N-ethenyl-2-fluoro-N'-methylbut-2-enimidamide

C7H11FN2 — CID 130343374

IUPAC(E)-N-ethenyl-2-fluoro-N'-methylbut-2-enimidamide
SMILESC=CNC(=N\C)/C(F)=C\C
InChIInChI=1S/C7H11FN2/c1-4-6(8)7(9-3)10-5-2/h4-5H,2H2,1,3H3,(H,9,10)/b6-4+
InChIKeyFEXFJQOXFJOCMJ-GQCTYLIASA-N
MW142.18 g/mol
LogP1.62
Rot. Bonds2

About (E)-N-ethenyl-2-fluoro-N'-methylbut-2-enimidamide

(E)-N-ethenyl-2-fluoro-N'-methylbut-2-enimidamide (PubChem CID 130343374) has the molecular formula C7H11FN2 and a molecular weight of 142.18 g/mol. Its IUPAC name is (E)-N-ethenyl-2-fluoro-N'-methylbut-2-enimidamide.

Molecular Properties

Compound Name(E)-N-ethenyl-2-fluoro-N'-methylbut-2-enimidamide
PubChem CID130343374
Molecular FormulaC7H11FN2
Molecular Weight142.18 g/mol
Exact Mass142.09
IUPAC Name(E)-N-ethenyl-2-fluoro-N'-methylbut-2-enimidamide
SMILESC=CNC(=N\C)/C(F)=C\C
InChIInChI=1S/C7H11FN2/c1-4-6(8)7(9-3)10-5-2/h4-5H,2H2,1,3H3,(H,9,10)/b6-4+
InChIKeyFEXFJQOXFJOCMJ-GQCTYLIASA-N
XLogP1.62
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 51.62
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'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-ethenyl-2-fluoro-N'-methylbut-2-enimidamide?
The IUPAC name of (E)-N-ethenyl-2-fluoro-N'-methylbut-2-enimidamide (CID 130343374) is (E)-N-ethenyl-2-fluoro-N'-methylbut-2-enimidamide.
What is the SMILES notation for (E)-N-ethenyl-2-fluoro-N'-methylbut-2-enimidamide?
The canonical SMILES for (E)-N-ethenyl-2-fluoro-N'-methylbut-2-enimidamide is C=CNC(=N\C)/C(F)=C\C.
What is the InChIKey of (E)-N-ethenyl-2-fluoro-N'-methylbut-2-enimidamide?
The InChIKey is FEXFJQOXFJOCMJ-GQCTYLIASA-N. The full InChI is InChI=1S/C7H11FN2/c1-4-6(8)7(9-3)10-5-2/h4-5H,2H2,1,3H3,(H,9,10)/b6-4+.
What are the key properties of (E)-N-ethenyl-2-fluoro-N'-methylbut-2-enimidamide?
(E)-N-ethenyl-2-fluoro-N'-methylbut-2-enimidamide has a molecular weight of 142.18 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethenyl-2-fluoro-N'-methylbut-2-enimidamide is sourced from PubChem (CID 130343374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).