N-(2-fluoroprop-2-enylidene)-N'-methylprop-2-enimidamide

C₇H₉FN₂ — CID 146416961

About N-(2-fluoroprop-2-enylidene)-N'-methylprop-2-enimidamide

N-(2-fluoroprop-2-enylidene)-N'-methylprop-2-enimidamide (PubChem CID 146416961) has the molecular formula C₇H₉FN₂ and a molecular weight of 140.16 g/mol. Its IUPAC name is N-(2-fluoroprop-2-enylidene)-N'-methylprop-2-enimidamide.

Molecular Properties

• Compound Name: N-(2-fluoroprop-2-enylidene)-N'-methylprop-2-enimidamide
• PubChem CID: 146416961
• Molecular Formula: C₇H₉FN₂
• Molecular Weight: 140.16 g/mol
• Exact Mass: 140.07
• IUPAC Name: N-(2-fluoroprop-2-enylidene)-N'-methylprop-2-enimidamide
• SMILES: C=CC(/N=C/C(=C)F)=N\C
• InChI: InChI=1S/C7H9FN2/c1-4-7(9-3)10-5-6(2)8/h4-5H,1-2H2,3H3/b9-7+,10-5+
• InChIKey: GVXBVXAJAHYWPI-JCVPOOLXSA-N
• XLogP: 1.75
• TPSA: 24.72 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	140.16
LogP ≤ 5	1.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroprop-2-enylidene)-N'-methylprop-2-enimidamide?

The IUPAC name of N-(2-fluoroprop-2-enylidene)-N'-methylprop-2-enimidamide (CID 146416961) is N-(2-fluoroprop-2-enylidene)-N'-methylprop-2-enimidamide.

What is the SMILES notation for N-(2-fluoroprop-2-enylidene)-N'-methylprop-2-enimidamide?

The canonical SMILES for N-(2-fluoroprop-2-enylidene)-N'-methylprop-2-enimidamide is C=CC(/N=C/C(=C)F)=N\C.

What is the InChIKey of N-(2-fluoroprop-2-enylidene)-N'-methylprop-2-enimidamide?

The InChIKey is GVXBVXAJAHYWPI-JCVPOOLXSA-N. The full InChI is InChI=1S/C7H9FN2/c1-4-7(9-3)10-5-6(2)8/h4-5H,1-2H2,3H3/b9-7+,10-5+.

What are the key properties of N-(2-fluoroprop-2-enylidene)-N'-methylprop-2-enimidamide?

N-(2-fluoroprop-2-enylidene)-N'-methylprop-2-enimidamide has a molecular weight of 140.16 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-fluoroprop-2-enylidene)-N'-methylprop-2-enimidamide is sourced from PubChem (CID 146416961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 146416961 — identifiers, structure, computed properties (public domain)

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